2-(2-aminopropylsulfanyl)-N-(2-methylbutan-2-yl)acetamide

C10H22N2OS — CID 66217234

IUPAC2-(2-aminopropylsulfanyl)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CSCC(C)N
InChIInChI=1S/C10H22N2OS/c1-5-10(3,4)12-9(13)7-14-6-8(2)11/h8H,5-7,11H2,1-4H3,(H,12,13)
InChIKeyOLHGLHCAPPKSQD-UHFFFAOYSA-N
MW218.37 g/mol
LogP1.37
Rot. Bonds6

About 2-(2-aminopropylsulfanyl)-N-(2-methylbutan-2-yl)acetamide

2-(2-aminopropylsulfanyl)-N-(2-methylbutan-2-yl)acetamide (PubChem CID 66217234) has the molecular formula C10H22N2OS and a molecular weight of 218.37 g/mol. Its IUPAC name is 2-(2-aminopropylsulfanyl)-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-aminopropylsulfanyl)-N-(2-methylbutan-2-yl)acetamide
PubChem CID66217234
Molecular FormulaC10H22N2OS
Molecular Weight218.37 g/mol
Exact Mass218.15
IUPAC Name2-(2-aminopropylsulfanyl)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CSCC(C)N
InChIInChI=1S/C10H22N2OS/c1-5-10(3,4)12-9(13)7-14-6-8(2)11/h8H,5-7,11H2,1-4H3,(H,12,13)
InChIKeyOLHGLHCAPPKSQD-UHFFFAOYSA-N
XLogP1.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-hydroxybutan-2-ylsulfanyl)-N-(2-methylbutan-2-yl)acetamide
CID 103705755
2-(2-aminopropylsulfanyl)acetic acid
CID 66217411
2-(2-aminopropylsulfanyl)-N-(3-methylbutyl)acetamide
CID 66219969
2-(2-aminopropylsulfanyl)-N-(propan-2-ylcarbamoyl)acetamide
CID 66218210
3-(2-methylbutan-2-ylamino)-3-oxopropanoic acid
CID 62230049
3-hydroxy-N-(2-methylbutan-2-yl)butanamide
CID 87908743
2-(2-aminopropylsulfanyl)-N-(6-methylheptan-2-yl)acetamide
CID 66217982
2-hydroxy-N-(2-methylbutan-2-yl)acetamide
CID 43558880
N-(1-amino-2-methylpropan-2-yl)-2-(3-methylbutylsulfanyl)acetamide;hydrochloride
CID 119524067
(2S)-2-amino-3-methyl-3-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]sulfanylbutanoic acid
CID 106443528
2-(2-aminopropylsulfanyl)-N-(2-cyanoethyl)acetamide
CID 66219221
3-(3-aminobutanoylamino)-3-methylbutanoic acid
CID 64684104

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropylsulfanyl)-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(2-aminopropylsulfanyl)-N-(2-methylbutan-2-yl)acetamide (CID 66217234) is 2-(2-aminopropylsulfanyl)-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(2-aminopropylsulfanyl)-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(2-aminopropylsulfanyl)-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)CSCC(C)N.
What is the InChIKey of 2-(2-aminopropylsulfanyl)-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is OLHGLHCAPPKSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2OS/c1-5-10(3,4)12-9(13)7-14-6-8(2)11/h8H,5-7,11H2,1-4H3,(H,12,13).
What are the key properties of 2-(2-aminopropylsulfanyl)-N-(2-methylbutan-2-yl)acetamide?
2-(2-aminopropylsulfanyl)-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 218.37 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropylsulfanyl)-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 66217234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).