N,N-dimethyl-1-[[(2-methyl-3-methylsulfanylpropanoyl)amino]methyl]cyclopentane-1-carboxamide

C14H26N2O2S — CID 56789790

IUPACN,N-dimethyl-1-[[(2-methyl-3-methylsulfanylpropanoyl)amino]methyl]cyclopentane-1-carboxamide
SMILESCSCC(C)C(=O)NCC1(C(=O)N(C)C)CCCC1
InChIInChI=1S/C14H26N2O2S/c1-11(9-19-4)12(17)15-10-14(7-5-6-8-14)13(18)16(2)3/h11H,5-10H2,1-4H3,(H,15,17)
InChIKeyKXQIEKNRMCKYRU-UHFFFAOYSA-N
MW286.44 g/mol
LogP1.75
Rot. Bonds6

About N,N-dimethyl-1-[[(2-methyl-3-methylsulfanylpropanoyl)amino]methyl]cyclopentane-1-carboxamide

N,N-dimethyl-1-[[(2-methyl-3-methylsulfanylpropanoyl)amino]methyl]cyclopentane-1-carboxamide (PubChem CID 56789790) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N,N-dimethyl-1-[[(2-methyl-3-methylsulfanylpropanoyl)amino]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[[(2-methyl-3-methylsulfanylpropanoyl)amino]methyl]cyclopentane-1-carboxamide
PubChem CID56789790
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC NameN,N-dimethyl-1-[[(2-methyl-3-methylsulfanylpropanoyl)amino]methyl]cyclopentane-1-carboxamide
SMILESCSCC(C)C(=O)NCC1(C(=O)N(C)C)CCCC1
InChIInChI=1S/C14H26N2O2S/c1-11(9-19-4)12(17)15-10-14(7-5-6-8-14)13(18)16(2)3/h11H,5-10H2,1-4H3,(H,15,17)
InChIKeyKXQIEKNRMCKYRU-UHFFFAOYSA-N
XLogP1.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[[(2-methyl-3-methylsulfanylpropanoyl)amino]methyl]cyclopentane-1-carboxamide?
The IUPAC name of N,N-dimethyl-1-[[(2-methyl-3-methylsulfanylpropanoyl)amino]methyl]cyclopentane-1-carboxamide (CID 56789790) is N,N-dimethyl-1-[[(2-methyl-3-methylsulfanylpropanoyl)amino]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-[[(2-methyl-3-methylsulfanylpropanoyl)amino]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for N,N-dimethyl-1-[[(2-methyl-3-methylsulfanylpropanoyl)amino]methyl]cyclopentane-1-carboxamide is CSCC(C)C(=O)NCC1(C(=O)N(C)C)CCCC1.
What is the InChIKey of N,N-dimethyl-1-[[(2-methyl-3-methylsulfanylpropanoyl)amino]methyl]cyclopentane-1-carboxamide?
The InChIKey is KXQIEKNRMCKYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S/c1-11(9-19-4)12(17)15-10-14(7-5-6-8-14)13(18)16(2)3/h11H,5-10H2,1-4H3,(H,15,17).
What are the key properties of N,N-dimethyl-1-[[(2-methyl-3-methylsulfanylpropanoyl)amino]methyl]cyclopentane-1-carboxamide?
N,N-dimethyl-1-[[(2-methyl-3-methylsulfanylpropanoyl)amino]methyl]cyclopentane-1-carboxamide has a molecular weight of 286.44 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[[(2-methyl-3-methylsulfanylpropanoyl)amino]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 56789790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).