1-(cyclopropylamino)-3-pentylsulfanylcyclopentane-1-carboxamide

C14H26N2OS — CID 107755473

IUPAC1-(cyclopropylamino)-3-pentylsulfanylcyclopentane-1-carboxamide
SMILESCCCCCSC1CCC(NC2CC2)(C(N)=O)C1
InChIInChI=1S/C14H26N2OS/c1-2-3-4-9-18-12-7-8-14(10-12,13(15)17)16-11-5-6-11/h11-12,16H,2-10H2,1H3,(H2,15,17)
InChIKeyNMDPVVWEUIOUPO-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.44
Rot. Bonds8

About 1-(cyclopropylamino)-3-pentylsulfanylcyclopentane-1-carboxamide

1-(cyclopropylamino)-3-pentylsulfanylcyclopentane-1-carboxamide (PubChem CID 107755473) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-pentylsulfanylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-pentylsulfanylcyclopentane-1-carboxamide
PubChem CID107755473
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name1-(cyclopropylamino)-3-pentylsulfanylcyclopentane-1-carboxamide
SMILESCCCCCSC1CCC(NC2CC2)(C(N)=O)C1
InChIInChI=1S/C14H26N2OS/c1-2-3-4-9-18-12-7-8-14(10-12,13(15)17)16-11-5-6-11/h11-12,16H,2-10H2,1H3,(H2,15,17)
InChIKeyNMDPVVWEUIOUPO-UHFFFAOYSA-N
XLogP2.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.44
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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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-pentylsulfanylcyclopentane-1-carboxamide?
The IUPAC name of 1-(cyclopropylamino)-3-pentylsulfanylcyclopentane-1-carboxamide (CID 107755473) is 1-(cyclopropylamino)-3-pentylsulfanylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-(cyclopropylamino)-3-pentylsulfanylcyclopentane-1-carboxamide?
The canonical SMILES for 1-(cyclopropylamino)-3-pentylsulfanylcyclopentane-1-carboxamide is CCCCCSC1CCC(NC2CC2)(C(N)=O)C1.
What is the InChIKey of 1-(cyclopropylamino)-3-pentylsulfanylcyclopentane-1-carboxamide?
The InChIKey is NMDPVVWEUIOUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-2-3-4-9-18-12-7-8-14(10-12,13(15)17)16-11-5-6-11/h11-12,16H,2-10H2,1H3,(H2,15,17).
What are the key properties of 1-(cyclopropylamino)-3-pentylsulfanylcyclopentane-1-carboxamide?
1-(cyclopropylamino)-3-pentylsulfanylcyclopentane-1-carboxamide has a molecular weight of 270.44 g/mol, XLogP of 2.44, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-pentylsulfanylcyclopentane-1-carboxamide is sourced from PubChem (CID 107755473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).