N,N-dimethyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide

C11H20N2O2S — CID 107027228

IUPACN,N-dimethyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide
SMILESCN(C)C(=O)CCNC(=O)CC1(CS)CC1
InChIInChI=1S/C11H20N2O2S/c1-13(2)10(15)3-6-12-9(14)7-11(8-16)4-5-11/h16H,3-8H2,1-2H3,(H,12,14)
InChIKeyIJIRTQJNUOGLHM-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.68
Rot. Bonds6

About N,N-dimethyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide

N,N-dimethyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide (PubChem CID 107027228) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is N,N-dimethyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide
PubChem CID107027228
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC NameN,N-dimethyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide
SMILESCN(C)C(=O)CCNC(=O)CC1(CS)CC1
InChIInChI=1S/C11H20N2O2S/c1-13(2)10(15)3-6-12-9(14)7-11(8-16)4-5-11/h16H,3-8H2,1-2H3,(H,12,14)
InChIKeyIJIRTQJNUOGLHM-UHFFFAOYSA-N
XLogP0.68
TPSA49.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3,3-dimethyl-N-(2-sulfanylethyl)-4-sulfanylidenepentanamide
CID 22339870
3,3-dimethyl-N-[3-oxo-3-(2-sulfanylethylamino)propyl]butanamide
CID 57058920
3,3-dimethyl-N-(2-sulfanylethyl)pentanamide
CID 89042101
3-ethyl-3-methyl-N-(2-sulfanylethyl)pentanamide
CID 89042102
1,2-dimethyl-N-[2-(3-sulfanylpropanoylamino)ethyl]cyclopropane-1-carboxamide
CID 89843553
1,2,2-trimethyl-N-(2-sulfanylethyl)cyclopropane-1-carboxamide
CID 126725546
2-[(dimethylamino)methyl]-N-(2-sulfanylethyl)pentanamide
CID 140372549
2-(methylaminomethyl)-N-(2-sulfanylethyl)pentanamide
CID 140372550
2-carbamothioyl-N-[3-(dimethylamino)-3-oxopropyl]-2-ethylbutanamide
CID 61866462
2-carbamothioyl-N-(2-cyclopropylethyl)-2-ethylbutanamide
CID 65559719
2-carbamothioyl-N-[3-(diethylamino)-3-oxopropyl]-2-ethylbutanamide
CID 104433999
1-[2-[1-(Sulfanylmethyl)cyclopropyl]acetyl]pyrrolidine-3-carboxamide
CID 105554746

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide?
The IUPAC name of N,N-dimethyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide (CID 107027228) is N,N-dimethyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide?
The canonical SMILES for N,N-dimethyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide is CN(C)C(=O)CCNC(=O)CC1(CS)CC1.
What is the InChIKey of N,N-dimethyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide?
The InChIKey is IJIRTQJNUOGLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-13(2)10(15)3-6-12-9(14)7-11(8-16)4-5-11/h16H,3-8H2,1-2H3,(H,12,14).
What are the key properties of N,N-dimethyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide?
N,N-dimethyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide has a molecular weight of 244.36 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide is sourced from PubChem (CID 107027228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).