N-cyclopropyl-N,3-dimethyl-2-sulfanylbutanamide

C9H17NOS — CID 107022355

IUPACN-cyclopropyl-N,3-dimethyl-2-sulfanylbutanamide
SMILESCC(C)C(S)C(=O)N(C)C1CC1
InChIInChI=1S/C9H17NOS/c1-6(2)8(12)9(11)10(3)7-4-5-7/h6-8,12H,4-5H2,1-3H3
InChIKeyBUODAHYXBKSQRF-UHFFFAOYSA-N
MW187.31 g/mol
LogP1.56
Rot. Bonds3

About N-cyclopropyl-N,3-dimethyl-2-sulfanylbutanamide

N-cyclopropyl-N,3-dimethyl-2-sulfanylbutanamide (PubChem CID 107022355) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is N-cyclopropyl-N,3-dimethyl-2-sulfanylbutanamide.

Molecular Properties

Compound NameN-cyclopropyl-N,3-dimethyl-2-sulfanylbutanamide
PubChem CID107022355
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC NameN-cyclopropyl-N,3-dimethyl-2-sulfanylbutanamide
SMILESCC(C)C(S)C(=O)N(C)C1CC1
InChIInChI=1S/C9H17NOS/c1-6(2)8(12)9(11)10(3)7-4-5-7/h6-8,12H,4-5H2,1-3H3
InChIKeyBUODAHYXBKSQRF-UHFFFAOYSA-N
XLogP1.56
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-N,3-dimethyl-2-sulfanylbutanamide
CID 107020891
4-[cyclopropyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103495905
N-cyclopropyl-N-methyl-2-(methylamino)propanamide
CID 62637829
N-cyclopropyl-2-methoxy-N-methylpropanamide
CID 115593382
3-chloro-N-cyclopropyl-N,2-dimethylpropanamide
CID 62729219
2-bromo-N-cyclopentyl-N,3-dimethylbutanamide
CID 43267096
(2S)-2-amino-N-cyclohexyl-N,3-dimethylbutanamide
CID 61149042
2-amino-N-cyclooctyl-N-methylpropanamide
CID 83630474
2-bromo-N-cyclohexyl-N-methylpropanamide
CID 82110244
N-(4-aminocyclohexyl)-2-methoxy-N-methylpropanamide
CID 115737651
3-[cycloheptyl(methyl)amino]-2-methyl-3-oxopropanoic acid
CID 114897396
(2S)-2-amino-N-(4,4-dimethylcyclohexyl)-N-methylpropanamide;hydrochloride
CID 119328237

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N,3-dimethyl-2-sulfanylbutanamide?
The IUPAC name of N-cyclopropyl-N,3-dimethyl-2-sulfanylbutanamide (CID 107022355) is N-cyclopropyl-N,3-dimethyl-2-sulfanylbutanamide.
What is the SMILES notation for N-cyclopropyl-N,3-dimethyl-2-sulfanylbutanamide?
The canonical SMILES for N-cyclopropyl-N,3-dimethyl-2-sulfanylbutanamide is CC(C)C(S)C(=O)N(C)C1CC1.
What is the InChIKey of N-cyclopropyl-N,3-dimethyl-2-sulfanylbutanamide?
The InChIKey is BUODAHYXBKSQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS/c1-6(2)8(12)9(11)10(3)7-4-5-7/h6-8,12H,4-5H2,1-3H3.
What are the key properties of N-cyclopropyl-N,3-dimethyl-2-sulfanylbutanamide?
N-cyclopropyl-N,3-dimethyl-2-sulfanylbutanamide has a molecular weight of 187.31 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N,3-dimethyl-2-sulfanylbutanamide is sourced from PubChem (CID 107022355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).