2-(2-aminopropylsulfanyl)-N-(6-methylheptan-2-yl)acetamide

C13H28N2OS — CID 66217982

IUPAC2-(2-aminopropylsulfanyl)-N-(6-methylheptan-2-yl)acetamide
SMILESCC(C)CCCC(C)NC(=O)CSCC(C)N
InChIInChI=1S/C13H28N2OS/c1-10(2)6-5-7-12(4)15-13(16)9-17-8-11(3)14/h10-12H,5-9,14H2,1-4H3,(H,15,16)
InChIKeyVSGVXPHFVVQTQM-UHFFFAOYSA-N
MW260.45 g/mol
LogP2.40
Rot. Bonds9

About 2-(2-aminopropylsulfanyl)-N-(6-methylheptan-2-yl)acetamide

2-(2-aminopropylsulfanyl)-N-(6-methylheptan-2-yl)acetamide (PubChem CID 66217982) has the molecular formula C13H28N2OS and a molecular weight of 260.45 g/mol. Its IUPAC name is 2-(2-aminopropylsulfanyl)-N-(6-methylheptan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-aminopropylsulfanyl)-N-(6-methylheptan-2-yl)acetamide
PubChem CID66217982
Molecular FormulaC13H28N2OS
Molecular Weight260.45 g/mol
Exact Mass260.19
IUPAC Name2-(2-aminopropylsulfanyl)-N-(6-methylheptan-2-yl)acetamide
SMILESCC(C)CCCC(C)NC(=O)CSCC(C)N
InChIInChI=1S/C13H28N2OS/c1-10(2)6-5-7-12(4)15-13(16)9-17-8-11(3)14/h10-12H,5-9,14H2,1-4H3,(H,15,16)
InChIKeyVSGVXPHFVVQTQM-UHFFFAOYSA-N
XLogP2.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-[2-(5-methylhexan-2-ylamino)-2-oxoethyl]sulfanylpropanoic acid
CID 107773379
3-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]sulfanylbutanoic acid
CID 66138255
3-(6-methylheptan-2-ylamino)-3-oxopropanoic acid
CID 62229876
2-amino-N-(6-methylheptan-2-yl)acetamide
CID 60718868
2-[1-[[2-(6-methylheptan-2-ylamino)-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid
CID 65442695
2-benzylsulfanyl-N-(6-methylheptan-2-yl)acetamide
CID 4051630
(2R)-2-amino-3-methyl-3-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]sulfanylbutanoic acid
CID 106442510
2-[2-(5-hydroxypentan-2-ylamino)-2-oxoethyl]sulfanylacetic acid
CID 104570148
2-(2-aminopropylsulfanyl)-N-(propan-2-ylcarbamoyl)acetamide
CID 66218210
2-(2-aminopropylsulfanyl)acetic acid
CID 66217411
N-(6-methylheptan-2-yl)butanamide
CID 60644759
3-amino-3-methyl-N-(6-methylheptan-2-yl)butanamide
CID 64676802

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropylsulfanyl)-N-(6-methylheptan-2-yl)acetamide?
The IUPAC name of 2-(2-aminopropylsulfanyl)-N-(6-methylheptan-2-yl)acetamide (CID 66217982) is 2-(2-aminopropylsulfanyl)-N-(6-methylheptan-2-yl)acetamide.
What is the SMILES notation for 2-(2-aminopropylsulfanyl)-N-(6-methylheptan-2-yl)acetamide?
The canonical SMILES for 2-(2-aminopropylsulfanyl)-N-(6-methylheptan-2-yl)acetamide is CC(C)CCCC(C)NC(=O)CSCC(C)N.
What is the InChIKey of 2-(2-aminopropylsulfanyl)-N-(6-methylheptan-2-yl)acetamide?
The InChIKey is VSGVXPHFVVQTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2OS/c1-10(2)6-5-7-12(4)15-13(16)9-17-8-11(3)14/h10-12H,5-9,14H2,1-4H3,(H,15,16).
What are the key properties of 2-(2-aminopropylsulfanyl)-N-(6-methylheptan-2-yl)acetamide?
2-(2-aminopropylsulfanyl)-N-(6-methylheptan-2-yl)acetamide has a molecular weight of 260.45 g/mol, XLogP of 2.40, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropylsulfanyl)-N-(6-methylheptan-2-yl)acetamide is sourced from PubChem (CID 66217982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).