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

C9H18N2OS — CID 66219314

IUPAC2-(3-aminopropylsulfanyl)-N-(cyclopropylmethyl)acetamide
SMILESNCCCSCC(=O)NCC1CC1
InChIInChI=1S/C9H18N2OS/c10-4-1-5-13-7-9(12)11-6-8-2-3-8/h8H,1-7,10H2,(H,11,12)
InChIKeyJTCAUDDYRROVBB-UHFFFAOYSA-N
MW202.32 g/mol
LogP0.59
Rot. Bonds7

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

2-(3-aminopropylsulfanyl)-N-(cyclopropylmethyl)acetamide (PubChem CID 66219314) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is 2-(3-aminopropylsulfanyl)-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-aminopropylsulfanyl)-N-(cyclopropylmethyl)acetamide
PubChem CID66219314
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name2-(3-aminopropylsulfanyl)-N-(cyclopropylmethyl)acetamide
SMILESNCCCSCC(=O)NCC1CC1
InChIInChI=1S/C9H18N2OS/c10-4-1-5-13-7-9(12)11-6-8-2-3-8/h8H,1-7,10H2,(H,11,12)
InChIKeyJTCAUDDYRROVBB-UHFFFAOYSA-N
XLogP0.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-[2-(cyclopropylmethylamino)-2-oxoethyl]sulfanylbutanoic acid
CID 60929743
6-amino-N-(cyclopropylmethyl)hexanamide
CID 24707919
7-amino-N-(cyclopropylmethyl)heptanamide
CID 24705524
4-amino-N-(cyclobutylmethyl)butanamide
CID 43298749
4-amino-N-(cyclopentylmethyl)butanamide
CID 43371168
2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-(cyclopropylmethyl)acetamide
CID 55243358
6-amino-N-[(4-hydroxycyclohexyl)methyl]hexanamide
CID 106135658
6-amino-N-(cyclohexylmethyl)hexanamide
CID 43371592
2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide
CID 79735210
2-[1-[[2-(cyclopropylmethylamino)-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid
CID 65441715
2-[4-(aminomethyl)cyclohexyl]-N-(cyclopentylmethyl)acetamide
CID 63613215
3-(3-aminopropylsulfanyl)-N-cyclopropylpropanamide
CID 66217317

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropylsulfanyl)-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-(3-aminopropylsulfanyl)-N-(cyclopropylmethyl)acetamide (CID 66219314) is 2-(3-aminopropylsulfanyl)-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-(3-aminopropylsulfanyl)-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-(3-aminopropylsulfanyl)-N-(cyclopropylmethyl)acetamide is NCCCSCC(=O)NCC1CC1.
What is the InChIKey of 2-(3-aminopropylsulfanyl)-N-(cyclopropylmethyl)acetamide?
The InChIKey is JTCAUDDYRROVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c10-4-1-5-13-7-9(12)11-6-8-2-3-8/h8H,1-7,10H2,(H,11,12).
What are the key properties of 2-(3-aminopropylsulfanyl)-N-(cyclopropylmethyl)acetamide?
2-(3-aminopropylsulfanyl)-N-(cyclopropylmethyl)acetamide has a molecular weight of 202.32 g/mol, XLogP of 0.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropylsulfanyl)-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 66219314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).