2-[[(cyclopentylamino)-(4-methylsulfonylbutan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide

C15H30N4O3S — CID 110047616

IUPAC2-[[(cyclopentylamino)-(4-methylsulfonylbutan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCC(CCS(C)(=O)=O)N/C(=N\CC(=O)N(C)C)NC1CCCC1
InChIInChI=1S/C15H30N4O3S/c1-12(9-10-23(4,21)22)17-15(16-11-14(20)19(2)3)18-13-7-5-6-8-13/h12-13H,5-11H2,1-4H3,(H2,16,17,18)
InChIKeyRPTKHQIHAHTZKI-UHFFFAOYSA-N
MW346.50 g/mol
LogP0.38
Rot. Bonds7

About 2-[[(cyclopentylamino)-(4-methylsulfonylbutan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide

2-[[(cyclopentylamino)-(4-methylsulfonylbutan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110047616) has the molecular formula C15H30N4O3S and a molecular weight of 346.50 g/mol. Its IUPAC name is 2-[[(cyclopentylamino)-(4-methylsulfonylbutan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(cyclopentylamino)-(4-methylsulfonylbutan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide
PubChem CID110047616
Molecular FormulaC15H30N4O3S
Molecular Weight346.50 g/mol
Exact Mass346.20
IUPAC Name2-[[(cyclopentylamino)-(4-methylsulfonylbutan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCC(CCS(C)(=O)=O)N/C(=N\CC(=O)N(C)C)NC1CCCC1
InChIInChI=1S/C15H30N4O3S/c1-12(9-10-23(4,21)22)17-15(16-11-14(20)19(2)3)18-13-7-5-6-8-13/h12-13H,5-11H2,1-4H3,(H2,16,17,18)
InChIKeyRPTKHQIHAHTZKI-UHFFFAOYSA-N
XLogP0.38
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[[(cyclopentylamino)-(cyclopropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 119116690
2-[[(butan-2-ylamino)-(cyclopropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 119115450
2-[[(cyclopentylamino)-(3-methylbutylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111494906
2-[[(cyclohexylamino)-(cyclopropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 119115662
2-[[(butan-2-ylamino)-[(3-methylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 110039577
N,N-dimethyl-2-[[(2-methylsulfanylethylamino)-(4-methylsulfonylbutan-2-ylamino)methylidene]amino]acetamide
CID 110047660
2-[[(butan-2-ylamino)-[(1-cyclopentylpiperidin-4-yl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110039430
2-[[(2-methoxyethylamino)-(4-methylsulfonylbutan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110047649
2-[[(cyclopentylamino)-[1-(oxolan-3-yloxy)propan-2-ylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110044690
N,N-dimethyl-2-[[(propan-2-ylamino)-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]acetamide
CID 119139955
2-[[(cyclohexylamino)-(cyclopent-3-en-1-ylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110047214
2-[[(butan-2-ylamino)-(cyclopent-3-en-1-ylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110047238

Frequently Asked Questions

What is the IUPAC name of 2-[[(cyclopentylamino)-(4-methylsulfonylbutan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(cyclopentylamino)-(4-methylsulfonylbutan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide (CID 110047616) is 2-[[(cyclopentylamino)-(4-methylsulfonylbutan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(cyclopentylamino)-(4-methylsulfonylbutan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(cyclopentylamino)-(4-methylsulfonylbutan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide is CC(CCS(C)(=O)=O)N/C(=N\CC(=O)N(C)C)NC1CCCC1.
What is the InChIKey of 2-[[(cyclopentylamino)-(4-methylsulfonylbutan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is RPTKHQIHAHTZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O3S/c1-12(9-10-23(4,21)22)17-15(16-11-14(20)19(2)3)18-13-7-5-6-8-13/h12-13H,5-11H2,1-4H3,(H2,16,17,18).
What are the key properties of 2-[[(cyclopentylamino)-(4-methylsulfonylbutan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide?
2-[[(cyclopentylamino)-(4-methylsulfonylbutan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 346.50 g/mol, XLogP of 0.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(cyclopentylamino)-(4-methylsulfonylbutan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110047616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).