4-(cyclopropylamino)-N-[(1-methylsulfanylcyclohexyl)methyl]butane-1-sulfonamide

C15H30N2O2S2 — CID 106092425

IUPAC4-(cyclopropylamino)-N-[(1-methylsulfanylcyclohexyl)methyl]butane-1-sulfonamide
SMILESCSC1(CNS(=O)(=O)CCCCNC2CC2)CCCCC1
InChIInChI=1S/C15H30N2O2S2/c1-20-15(9-3-2-4-10-15)13-17-21(18,19)12-6-5-11-16-14-7-8-14/h14,16-17H,2-13H2,1H3
InChIKeyRMZNGFYINWEVPA-UHFFFAOYSA-N
MW334.55 g/mol
LogP2.50
Rot. Bonds10

About 4-(cyclopropylamino)-N-[(1-methylsulfanylcyclohexyl)methyl]butane-1-sulfonamide

4-(cyclopropylamino)-N-[(1-methylsulfanylcyclohexyl)methyl]butane-1-sulfonamide (PubChem CID 106092425) has the molecular formula C15H30N2O2S2 and a molecular weight of 334.55 g/mol. Its IUPAC name is 4-(cyclopropylamino)-N-[(1-methylsulfanylcyclohexyl)methyl]butane-1-sulfonamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-N-[(1-methylsulfanylcyclohexyl)methyl]butane-1-sulfonamide
PubChem CID106092425
Molecular FormulaC15H30N2O2S2
Molecular Weight334.55 g/mol
Exact Mass334.17
IUPAC Name4-(cyclopropylamino)-N-[(1-methylsulfanylcyclohexyl)methyl]butane-1-sulfonamide
SMILESCSC1(CNS(=O)(=O)CCCCNC2CC2)CCCCC1
InChIInChI=1S/C15H30N2O2S2/c1-20-15(9-3-2-4-10-15)13-17-21(18,19)12-6-5-11-16-14-7-8-14/h14,16-17H,2-13H2,1H3
InChIKeyRMZNGFYINWEVPA-UHFFFAOYSA-N
XLogP2.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.55
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(cyclopropylamino)-N-[(1-methylsulfanylcyclobutyl)methyl]propane-1-sulfonamide
CID 106090688
2-(cyclopropylamino)-N-[(1-methylsulfanylcyclopentyl)methyl]ethanesulfonamide
CID 106090508
N-[(1-methylsulfanylcyclohexyl)methyl]-4-(propylamino)butane-1-sulfonamide
CID 106092414
N-[(1-methylsulfanylcyclopentyl)methyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106090506
4-hydroxy-N-[(1-methylsulfanylcyclohexyl)methyl]butane-1-sulfonamide
CID 106001860
4-amino-N-[(1-methylsulfanylcyclohexyl)methyl]butane-1-sulfonamide
CID 114142631
N-[(1-methylsulfanylcyclobutyl)methyl]-4-(propylamino)butane-1-sulfonamide
CID 106090686
N-[(1-methylsulfanylcyclobutyl)methyl]propane-1-sulfonamide
CID 107270941
4-(cyclopropylamino)-N-[(2-methylthiolan-2-yl)methyl]butane-1-sulfonamide
CID 106073825
3-(ethylamino)-N-[(1-methylsulfanylcyclobutyl)methyl]propane-1-sulfonamide
CID 114142573
4-hydroxy-N-[(1-methylsulfanylcyclopropyl)methyl]butane-1-sulfonamide
CID 106002291
3-[(1-methylsulfanylcyclohexyl)methylsulfamoyl]propanoic acid
CID 114115836

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-N-[(1-methylsulfanylcyclohexyl)methyl]butane-1-sulfonamide?
The IUPAC name of 4-(cyclopropylamino)-N-[(1-methylsulfanylcyclohexyl)methyl]butane-1-sulfonamide (CID 106092425) is 4-(cyclopropylamino)-N-[(1-methylsulfanylcyclohexyl)methyl]butane-1-sulfonamide.
What is the SMILES notation for 4-(cyclopropylamino)-N-[(1-methylsulfanylcyclohexyl)methyl]butane-1-sulfonamide?
The canonical SMILES for 4-(cyclopropylamino)-N-[(1-methylsulfanylcyclohexyl)methyl]butane-1-sulfonamide is CSC1(CNS(=O)(=O)CCCCNC2CC2)CCCCC1.
What is the InChIKey of 4-(cyclopropylamino)-N-[(1-methylsulfanylcyclohexyl)methyl]butane-1-sulfonamide?
The InChIKey is RMZNGFYINWEVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2S2/c1-20-15(9-3-2-4-10-15)13-17-21(18,19)12-6-5-11-16-14-7-8-14/h14,16-17H,2-13H2,1H3.
What are the key properties of 4-(cyclopropylamino)-N-[(1-methylsulfanylcyclohexyl)methyl]butane-1-sulfonamide?
4-(cyclopropylamino)-N-[(1-methylsulfanylcyclohexyl)methyl]butane-1-sulfonamide has a molecular weight of 334.55 g/mol, XLogP of 2.50, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-N-[(1-methylsulfanylcyclohexyl)methyl]butane-1-sulfonamide is sourced from PubChem (CID 106092425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).