N-[2-(benzenesulfonyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride

C17H27ClN2O3S — CID 120915822

IUPACN-[2-(benzenesulfonyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
SMILESCl.O=S(=O)(CCNC1CCCC1C1COCCN1)c1ccccc1
InChIInChI=1S/C17H26N2O3S.ClH/c20-23(21,14-5-2-1-3-6-14)12-10-19-16-8-4-7-15(16)17-13-22-11-9-18-17;/h1-3,5-6,15-19H,4,7-13H2;1H
InChIKeyDWOCGYBMBLTNAH-UHFFFAOYSA-N
MW374.93 g/mol
LogP1.63
Rot. Bonds6

About N-[2-(benzenesulfonyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride

N-[2-(benzenesulfonyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride (PubChem CID 120915822) has the molecular formula C17H27ClN2O3S and a molecular weight of 374.93 g/mol. Its IUPAC name is N-[2-(benzenesulfonyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[2-(benzenesulfonyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
PubChem CID120915822
Molecular FormulaC17H27ClN2O3S
Molecular Weight374.93 g/mol
Exact Mass374.14
IUPAC NameN-[2-(benzenesulfonyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
SMILESCl.O=S(=O)(CCNC1CCCC1C1COCCN1)c1ccccc1
InChIInChI=1S/C17H26N2O3S.ClH/c20-23(21,14-5-2-1-3-6-14)12-10-19-16-8-4-7-15(16)17-13-22-11-9-18-17;/h1-3,5-6,15-19H,4,7-13H2;1H
InChIKeyDWOCGYBMBLTNAH-UHFFFAOYSA-N
XLogP1.63
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.93
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
The IUPAC name of N-[2-(benzenesulfonyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride (CID 120915822) is N-[2-(benzenesulfonyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride.
What is the SMILES notation for N-[2-(benzenesulfonyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
The canonical SMILES for N-[2-(benzenesulfonyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride is Cl.O=S(=O)(CCNC1CCCC1C1COCCN1)c1ccccc1.
What is the InChIKey of N-[2-(benzenesulfonyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
The InChIKey is DWOCGYBMBLTNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S.ClH/c20-23(21,14-5-2-1-3-6-14)12-10-19-16-8-4-7-15(16)17-13-22-11-9-18-17;/h1-3,5-6,15-19H,4,7-13H2;1H.
What are the key properties of N-[2-(benzenesulfonyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
N-[2-(benzenesulfonyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride has a molecular weight of 374.93 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120915822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).