N,N,3-trimethyl-3-sulfanylbutanamide

C7H15NOS — CID 90216913

IUPACN,N,3-trimethyl-3-sulfanylbutanamide
SMILESCN(C)C(=O)CC(C)(C)S
InChIInChI=1S/C7H15NOS/c1-7(2,10)5-6(9)8(3)4/h10H,5H2,1-4H3
InChIKeyBIHGNRBGHQJBPW-UHFFFAOYSA-N
MW161.27 g/mol
LogP1.17
Rot. Bonds2

About N,N,3-trimethyl-3-sulfanylbutanamide

N,N,3-trimethyl-3-sulfanylbutanamide (PubChem CID 90216913) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is N,N,3-trimethyl-3-sulfanylbutanamide.

Molecular Properties

Compound NameN,N,3-trimethyl-3-sulfanylbutanamide
PubChem CID90216913
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC NameN,N,3-trimethyl-3-sulfanylbutanamide
SMILESCN(C)C(=O)CC(C)(C)S
InChIInChI=1S/C7H15NOS/c1-7(2,10)5-6(9)8(3)4/h10H,5H2,1-4H3
InChIKeyBIHGNRBGHQJBPW-UHFFFAOYSA-N
XLogP1.17
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 51.17
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

3,3-difluoro-N,N-dimethylbutanamide
CID 130667654
N,N,3,3-tetramethylpentanamide
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CID 13020109
N-[2-(dimethylamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 60667715
(3R)-3,5-dihydroxy-N,N,3-trimethylpentanamide
CID 87266925
ethyl 4-(dimethylamino)-2-hydroxy-2-methyl-4-oxobutanoate
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4,5-dichloro-N,N,3,3-tetramethylpentanamide
CID 170564857
tert-butyl 2-amino-4-(dimethylamino)-2-methyl-4-oxobutanoate
CID 175133888
2-(2-tert-butylsulfonylethylamino)-N,N-dimethylacetamide
CID 106723195
N,N-dimethyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 12636379
ethane;2-(ethylamino)-N,N-dimethylacetamide
CID 162757499
2-[[2-(hydroxymethyl)-2-methylbutyl]amino]-N,N-dimethylacetamide
CID 81412798

Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethyl-3-sulfanylbutanamide?
The IUPAC name of N,N,3-trimethyl-3-sulfanylbutanamide (CID 90216913) is N,N,3-trimethyl-3-sulfanylbutanamide.
What is the SMILES notation for N,N,3-trimethyl-3-sulfanylbutanamide?
The canonical SMILES for N,N,3-trimethyl-3-sulfanylbutanamide is CN(C)C(=O)CC(C)(C)S.
What is the InChIKey of N,N,3-trimethyl-3-sulfanylbutanamide?
The InChIKey is BIHGNRBGHQJBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-7(2,10)5-6(9)8(3)4/h10H,5H2,1-4H3.
What are the key properties of N,N,3-trimethyl-3-sulfanylbutanamide?
N,N,3-trimethyl-3-sulfanylbutanamide has a molecular weight of 161.27 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethyl-3-sulfanylbutanamide is sourced from PubChem (CID 90216913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).