1-cyclohexyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide;hydrochloride

C13H27ClN2O2S — CID 120723553

IUPAC1-cyclohexyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide;hydrochloride
SMILESCl.O=S(=O)(CC1CCCCC1)NCC[C@H]1CCCN1
InChIInChI=1S/C13H26N2O2S.ClH/c16-18(17,11-12-5-2-1-3-6-12)15-10-8-13-7-4-9-14-13;/h12-15H,1-11H2;1H/t13-;/m1./s1
InChIKeyKKZQDFVMFZKYDC-BTQNPOSSSA-N
MW310.89 g/mol
LogP2.05
Rot. Bonds6

About 1-cyclohexyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide;hydrochloride

1-cyclohexyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide;hydrochloride (PubChem CID 120723553) has the molecular formula C13H27ClN2O2S and a molecular weight of 310.89 g/mol. Its IUPAC name is 1-cyclohexyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound Name1-cyclohexyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide;hydrochloride
PubChem CID120723553
Molecular FormulaC13H27ClN2O2S
Molecular Weight310.89 g/mol
Exact Mass310.15
IUPAC Name1-cyclohexyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide;hydrochloride
SMILESCl.O=S(=O)(CC1CCCCC1)NCC[C@H]1CCCN1
InChIInChI=1S/C13H26N2O2S.ClH/c16-18(17,11-12-5-2-1-3-6-12)15-10-8-13-7-4-9-14-13;/h12-15H,1-11H2;1H/t13-;/m1./s1
InChIKeyKKZQDFVMFZKYDC-BTQNPOSSSA-N
XLogP2.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.89
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide;hydrochloride?
The IUPAC name of 1-cyclohexyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide;hydrochloride (CID 120723553) is 1-cyclohexyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for 1-cyclohexyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide;hydrochloride?
The canonical SMILES for 1-cyclohexyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide;hydrochloride is Cl.O=S(=O)(CC1CCCCC1)NCC[C@H]1CCCN1.
What is the InChIKey of 1-cyclohexyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide;hydrochloride?
The InChIKey is KKZQDFVMFZKYDC-BTQNPOSSSA-N. The full InChI is InChI=1S/C13H26N2O2S.ClH/c16-18(17,11-12-5-2-1-3-6-12)15-10-8-13-7-4-9-14-13;/h12-15H,1-11H2;1H/t13-;/m1./s1.
What are the key properties of 1-cyclohexyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide;hydrochloride?
1-cyclohexyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide;hydrochloride has a molecular weight of 310.89 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 120723553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).