N-(2-methyl-2-sulfanylpropyl)acetamide

C6H13NOS — CID 10374590

IUPACN-(2-methyl-2-sulfanylpropyl)acetamide
SMILESCC(=O)NCC(C)(C)S
InChIInChI=1S/C6H13NOS/c1-5(8)7-4-6(2,3)9/h9H,4H2,1-3H3,(H,7,8)
InChIKeySTVNFNPJRKHUCO-UHFFFAOYSA-N
MW147.24 g/mol
LogP0.83
Rot. Bonds2

About N-(2-methyl-2-sulfanylpropyl)acetamide

N-(2-methyl-2-sulfanylpropyl)acetamide (PubChem CID 10374590) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is N-(2-methyl-2-sulfanylpropyl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-2-sulfanylpropyl)acetamide
PubChem CID10374590
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC NameN-(2-methyl-2-sulfanylpropyl)acetamide
SMILESCC(=O)NCC(C)(C)S
InChIInChI=1S/C6H13NOS/c1-5(8)7-4-6(2,3)9/h9H,4H2,1-3H3,(H,7,8)
InChIKeySTVNFNPJRKHUCO-UHFFFAOYSA-N
XLogP0.83
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(2-methyl-2-sulfanylpropyl)carbamate
CID 45092056
N-(2,2,2-trifluoroethyl)acetamide
CID 23168969
(1-acetamido-2-hydroxypropan-2-yl)phosphonic acid
CID 59871533
N-[5-sulfanyl-2,2-bis(3-sulfanylpropyl)pentyl]acetamide
CID 163827421
N-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]propyl]acetamide
CID 155398854
N-(4-methoxy-2,2-dimethylbutyl)acetamide
CID 104625400
N-(2-methyl-2-nitrososulfanylpropyl)acetamide
CID 10080907
N-ethylacetamide;hydrochloride
CID 87177071
CID 88764909
CID 88764909
N-(2,2-difluorobutyl)acetamide
CID 88583149
N-(2-cyclopentyl-2-hydroxypropyl)acetamide
CID 126988295
2-[2-(2-ethoxyethoxy)ethoxy]-N-(2-methyl-2-sulfanylpropyl)acetamide
CID 175791265

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-sulfanylpropyl)acetamide?
The IUPAC name of N-(2-methyl-2-sulfanylpropyl)acetamide (CID 10374590) is N-(2-methyl-2-sulfanylpropyl)acetamide.
What is the SMILES notation for N-(2-methyl-2-sulfanylpropyl)acetamide?
The canonical SMILES for N-(2-methyl-2-sulfanylpropyl)acetamide is CC(=O)NCC(C)(C)S.
What is the InChIKey of N-(2-methyl-2-sulfanylpropyl)acetamide?
The InChIKey is STVNFNPJRKHUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c1-5(8)7-4-6(2,3)9/h9H,4H2,1-3H3,(H,7,8).
What are the key properties of N-(2-methyl-2-sulfanylpropyl)acetamide?
N-(2-methyl-2-sulfanylpropyl)acetamide has a molecular weight of 147.24 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-sulfanylpropyl)acetamide is sourced from PubChem (CID 10374590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).