N-[2-[2-[cyclopentyl(propan-2-yl)amino]ethylsulfonyl]ethyl]-N-propan-2-ylcyclopentanamine

C20H40N2O2S — CID 56570213

IUPACN-[2-[2-[cyclopentyl(propan-2-yl)amino]ethylsulfonyl]ethyl]-N-propan-2-ylcyclopentanamine
SMILESCC(C)N(CCS(=O)(=O)CCN(C(C)C)C1CCCC1)C1CCCC1
InChIInChI=1S/C20H40N2O2S/c1-17(2)21(19-9-5-6-10-19)13-15-25(23,24)16-14-22(18(3)4)20-11-7-8-12-20/h17-20H,5-16H2,1-4H3
InChIKeyZKPCKHQXJRQMNB-UHFFFAOYSA-N
MW372.62 g/mol
LogP3.71
Rot. Bonds10

About N-[2-[2-[cyclopentyl(propan-2-yl)amino]ethylsulfonyl]ethyl]-N-propan-2-ylcyclopentanamine

N-[2-[2-[cyclopentyl(propan-2-yl)amino]ethylsulfonyl]ethyl]-N-propan-2-ylcyclopentanamine (PubChem CID 56570213) has the molecular formula C20H40N2O2S and a molecular weight of 372.62 g/mol. Its IUPAC name is N-[2-[2-[cyclopentyl(propan-2-yl)amino]ethylsulfonyl]ethyl]-N-propan-2-ylcyclopentanamine.

Molecular Properties

Compound NameN-[2-[2-[cyclopentyl(propan-2-yl)amino]ethylsulfonyl]ethyl]-N-propan-2-ylcyclopentanamine
PubChem CID56570213
Molecular FormulaC20H40N2O2S
Molecular Weight372.62 g/mol
Exact Mass372.28
IUPAC NameN-[2-[2-[cyclopentyl(propan-2-yl)amino]ethylsulfonyl]ethyl]-N-propan-2-ylcyclopentanamine
SMILESCC(C)N(CCS(=O)(=O)CCN(C(C)C)C1CCCC1)C1CCCC1
InChIInChI=1S/C20H40N2O2S/c1-17(2)21(19-9-5-6-10-19)13-15-25(23,24)16-14-22(18(3)4)20-11-7-8-12-20/h17-20H,5-16H2,1-4H3
InChIKeyZKPCKHQXJRQMNB-UHFFFAOYSA-N
XLogP3.71
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.62
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[cyclopentyl(propan-2-yl)amino]ethylsulfonyl]ethyl]-N-propan-2-ylcyclopentanamine?
The IUPAC name of N-[2-[2-[cyclopentyl(propan-2-yl)amino]ethylsulfonyl]ethyl]-N-propan-2-ylcyclopentanamine (CID 56570213) is N-[2-[2-[cyclopentyl(propan-2-yl)amino]ethylsulfonyl]ethyl]-N-propan-2-ylcyclopentanamine.
What is the SMILES notation for N-[2-[2-[cyclopentyl(propan-2-yl)amino]ethylsulfonyl]ethyl]-N-propan-2-ylcyclopentanamine?
The canonical SMILES for N-[2-[2-[cyclopentyl(propan-2-yl)amino]ethylsulfonyl]ethyl]-N-propan-2-ylcyclopentanamine is CC(C)N(CCS(=O)(=O)CCN(C(C)C)C1CCCC1)C1CCCC1.
What is the InChIKey of N-[2-[2-[cyclopentyl(propan-2-yl)amino]ethylsulfonyl]ethyl]-N-propan-2-ylcyclopentanamine?
The InChIKey is ZKPCKHQXJRQMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2O2S/c1-17(2)21(19-9-5-6-10-19)13-15-25(23,24)16-14-22(18(3)4)20-11-7-8-12-20/h17-20H,5-16H2,1-4H3.
What are the key properties of N-[2-[2-[cyclopentyl(propan-2-yl)amino]ethylsulfonyl]ethyl]-N-propan-2-ylcyclopentanamine?
N-[2-[2-[cyclopentyl(propan-2-yl)amino]ethylsulfonyl]ethyl]-N-propan-2-ylcyclopentanamine has a molecular weight of 372.62 g/mol, XLogP of 3.71, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[cyclopentyl(propan-2-yl)amino]ethylsulfonyl]ethyl]-N-propan-2-ylcyclopentanamine is sourced from PubChem (CID 56570213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).