2-(2-aminobutylsulfanyl)-N-(2-methylpropyl)acetamide

C10H22N2OS — CID 66228725

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

About 2-(2-aminobutylsulfanyl)-N-(2-methylpropyl)acetamide

2-(2-aminobutylsulfanyl)-N-(2-methylpropyl)acetamide (PubChem CID 66228725) has the molecular formula C10H22N2OS and a molecular weight of 218.37 g/mol. Its IUPAC name is 2-(2-aminobutylsulfanyl)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-aminobutylsulfanyl)-N-(2-methylpropyl)acetamide
PubChem CID66228725
Molecular FormulaC10H22N2OS
Molecular Weight218.37 g/mol
Exact Mass218.15
IUPAC Name2-(2-aminobutylsulfanyl)-N-(2-methylpropyl)acetamide
SMILESCCC(N)CSCC(=O)NCC(C)C
InChIInChI=1S/C10H22N2OS/c1-4-9(11)6-14-7-10(13)12-5-8(2)3/h8-9H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyHXYVETTYQQZVPR-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

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Related Compounds

2-(2-aminobutylsulfanyl)-N-prop-2-ynylacetamide
CID 66231062
2-[2-(2-methylpropylamino)-2-oxoethyl]sulfanylacetic acid
CID 16795839
2-(2-aminobutylsulfanyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 66229426
2-(2-aminobutylsulfanyl)-N-(1-thiophen-2-ylethyl)acetamide
CID 66228221
N-(2-aminobutyl)-4-methylpentanamide
CID 63730752
2-(2-aminobutylsulfanyl)-N-pyrimidin-2-ylacetamide
CID 66228013
2-(2-aminopropylsulfanyl)-N-(3-methylbutyl)acetamide
CID 66219969
2-(2-aminobutylsulfanyl)-N-(3,5-difluorophenyl)acetamide
CID 66230836
2-(2-aminobutylsulfanyl)-N-(2-methylcyclohexyl)acetamide
CID 66230553
2-(2-aminobutylsulfanyl)-N-(2-methylsulfanylphenyl)acetamide
CID 66228012
(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

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutylsulfanyl)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(2-aminobutylsulfanyl)-N-(2-methylpropyl)acetamide (CID 66228725) is 2-(2-aminobutylsulfanyl)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(2-aminobutylsulfanyl)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(2-aminobutylsulfanyl)-N-(2-methylpropyl)acetamide is CCC(N)CSCC(=O)NCC(C)C.
What is the InChIKey of 2-(2-aminobutylsulfanyl)-N-(2-methylpropyl)acetamide?
The InChIKey is HXYVETTYQQZVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2OS/c1-4-9(11)6-14-7-10(13)12-5-8(2)3/h8-9H,4-7,11H2,1-3H3,(H,12,13).
What are the key properties of 2-(2-aminobutylsulfanyl)-N-(2-methylpropyl)acetamide?
2-(2-aminobutylsulfanyl)-N-(2-methylpropyl)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-aminobutylsulfanyl)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 66228725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).