2-(3-aminobutylsulfanyl)-N-cyclopropylacetamide

C9H18N2OS — CID 66234862

IUPAC2-(3-aminobutylsulfanyl)-N-cyclopropylacetamide
SMILESCC(N)CCSCC(=O)NC1CC1
InChIInChI=1S/C9H18N2OS/c1-7(10)4-5-13-6-9(12)11-8-2-3-8/h7-8H,2-6,10H2,1H3,(H,11,12)
InChIKeyLJJXNLHNXROTPX-UHFFFAOYSA-N
MW202.32 g/mol
LogP0.74
Rot. Bonds6

About 2-(3-aminobutylsulfanyl)-N-cyclopropylacetamide

2-(3-aminobutylsulfanyl)-N-cyclopropylacetamide (PubChem CID 66234862) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is 2-(3-aminobutylsulfanyl)-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-(3-aminobutylsulfanyl)-N-cyclopropylacetamide
PubChem CID66234862
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name2-(3-aminobutylsulfanyl)-N-cyclopropylacetamide
SMILESCC(N)CCSCC(=O)NC1CC1
InChIInChI=1S/C9H18N2OS/c1-7(10)4-5-13-6-9(12)11-8-2-3-8/h7-8H,2-6,10H2,1H3,(H,11,12)
InChIKeyLJJXNLHNXROTPX-UHFFFAOYSA-N
XLogP0.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 50.74
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-(3-aminobutylsulfanyl)-N-cycloheptylacetamide
CID 66232120
2-(3-aminobutylsulfanyl)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 66233717
2-(3-aminobutylsulfanyl)-N-(2-methylcyclohexyl)acetamide
CID 66234587
2-(3-methylbutylsulfanyl)-N-piperidin-4-ylacetamide
CID 119389143
5-amino-N-cyclopropylhexanamide
CID 82848782
2-(3-aminobutylsulfanyl)-N-(3-methylbutan-2-yl)acetamide
CID 66234177
N-cyclopropyl-2-(3-hydroxypropylsulfanyl)acetamide
CID 66114075
2-(2-aminoethylsulfanyl)-N-(4-hydroxycyclohexyl)acetamide
CID 84556006
2-(3-aminobutylsulfanyl)-N-prop-2-enylacetamide
CID 66232827
2-(3-aminobutylsulfanyl)-N,N-di(propan-2-yl)acetamide
CID 66233957
4-amino-N-(4-ethylcyclohexyl)pentanamide;hydrochloride
CID 120560101
2-(3-aminobutylsulfinyl)-N-cyclopropylacetamide
CID 81194624

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminobutylsulfanyl)-N-cyclopropylacetamide?
The IUPAC name of 2-(3-aminobutylsulfanyl)-N-cyclopropylacetamide (CID 66234862) is 2-(3-aminobutylsulfanyl)-N-cyclopropylacetamide.
What is the SMILES notation for 2-(3-aminobutylsulfanyl)-N-cyclopropylacetamide?
The canonical SMILES for 2-(3-aminobutylsulfanyl)-N-cyclopropylacetamide is CC(N)CCSCC(=O)NC1CC1.
What is the InChIKey of 2-(3-aminobutylsulfanyl)-N-cyclopropylacetamide?
The InChIKey is LJJXNLHNXROTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-7(10)4-5-13-6-9(12)11-8-2-3-8/h7-8H,2-6,10H2,1H3,(H,11,12).
What are the key properties of 2-(3-aminobutylsulfanyl)-N-cyclopropylacetamide?
2-(3-aminobutylsulfanyl)-N-cyclopropylacetamide has a molecular weight of 202.32 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminobutylsulfanyl)-N-cyclopropylacetamide is sourced from PubChem (CID 66234862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).