2-(2-aminopropylsulfanyl)-N-(3-methylbutyl)acetamide

C10H22N2OS — CID 66219969

IUPAC2-(2-aminopropylsulfanyl)-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CSCC(C)N
InChIInChI=1S/C10H22N2OS/c1-8(2)4-5-12-10(13)7-14-6-9(3)11/h8-9H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyXDIGFXALXYJDIU-UHFFFAOYSA-N
MW218.37 g/mol
LogP1.23
Rot. Bonds7

About 2-(2-aminopropylsulfanyl)-N-(3-methylbutyl)acetamide

2-(2-aminopropylsulfanyl)-N-(3-methylbutyl)acetamide (PubChem CID 66219969) has the molecular formula C10H22N2OS and a molecular weight of 218.37 g/mol. Its IUPAC name is 2-(2-aminopropylsulfanyl)-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(2-aminopropylsulfanyl)-N-(3-methylbutyl)acetamide
PubChem CID66219969
Molecular FormulaC10H22N2OS
Molecular Weight218.37 g/mol
Exact Mass218.15
IUPAC Name2-(2-aminopropylsulfanyl)-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CSCC(C)N
InChIInChI=1S/C10H22N2OS/c1-8(2)4-5-12-10(13)7-14-6-9(3)11/h8-9H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyXDIGFXALXYJDIU-UHFFFAOYSA-N
XLogP1.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-aminopropylsulfanyl)-N-(3-methylbutyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-3-[2-(3-methylbutylamino)-2-oxoethyl]sulfanylpropanoic acid
CID 107773461
(2R)-2-amino-3-[2-(3-methylbutylamino)-2-oxoethyl]sulfanylpropanoic acid
CID 61141834
2-(2-aminopropylsulfanyl)-N-(2-cyanoethyl)acetamide
CID 66219221
2-(2-aminopropylsulfanyl)-N-(6-methylheptan-2-yl)acetamide
CID 66217982
2-[2-[[2-(2-methylpropylsulfanyl)acetyl]amino]ethylsulfanyl]acetic acid
CID 115731527
N-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-(2-methylpropylsulfanyl)acetamide
CID 156547182
2-(2-aminopropylsulfanyl)acetic acid
CID 66217411
2-(2-aminopropylsulfanyl)-N-benzylacetamide
CID 66220422
2-[2-(7-methyloctylamino)-2-oxoethyl]sulfanylacetic acid
CID 112683221
2-(2-aminopropylsulfanyl)-N-(propan-2-ylcarbamoyl)acetamide
CID 66218210
N-(3,3-dimethylbutyl)-2-(2-methylpropylsulfanyl)acetamide
CID 155110055
2-(2-aminopropylsulfanyl)-N-pyrimidin-2-ylacetamide
CID 66217003

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropylsulfanyl)-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-(2-aminopropylsulfanyl)-N-(3-methylbutyl)acetamide (CID 66219969) is 2-(2-aminopropylsulfanyl)-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(2-aminopropylsulfanyl)-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(2-aminopropylsulfanyl)-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)CSCC(C)N.
What is the InChIKey of 2-(2-aminopropylsulfanyl)-N-(3-methylbutyl)acetamide?
The InChIKey is XDIGFXALXYJDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2OS/c1-8(2)4-5-12-10(13)7-14-6-9(3)11/h8-9H,4-7,11H2,1-3H3,(H,12,13).
What are the key properties of 2-(2-aminopropylsulfanyl)-N-(3-methylbutyl)acetamide?
2-(2-aminopropylsulfanyl)-N-(3-methylbutyl)acetamide has a molecular weight of 218.37 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropylsulfanyl)-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 66219969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).