1-cyclohexyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide;hydrochloride

C12H25ClN2O2S — CID 119974331

IUPAC1-cyclohexyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide;hydrochloride
SMILESCl.O=S(=O)(CC1CCCCC1)NCC1CCCN1
InChIInChI=1S/C12H24N2O2S.ClH/c15-17(16,10-11-5-2-1-3-6-11)14-9-12-7-4-8-13-12;/h11-14H,1-10H2;1H
InChIKeyPDYNKTZKWYJZOQ-UHFFFAOYSA-N
MW296.86 g/mol
LogP1.66
Rot. Bonds5

About 1-cyclohexyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide;hydrochloride

1-cyclohexyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide;hydrochloride (PubChem CID 119974331) has the molecular formula C12H25ClN2O2S and a molecular weight of 296.86 g/mol. Its IUPAC name is 1-cyclohexyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide;hydrochloride.

Molecular Properties

Compound Name1-cyclohexyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide;hydrochloride
PubChem CID119974331
Molecular FormulaC12H25ClN2O2S
Molecular Weight296.86 g/mol
Exact Mass296.13
IUPAC Name1-cyclohexyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide;hydrochloride
SMILESCl.O=S(=O)(CC1CCCCC1)NCC1CCCN1
InChIInChI=1S/C12H24N2O2S.ClH/c15-17(16,10-11-5-2-1-3-6-11)14-9-12-7-4-8-13-12;/h11-14H,1-10H2;1H
InChIKeyPDYNKTZKWYJZOQ-UHFFFAOYSA-N
XLogP1.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.86
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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1-cyclohexyl-N-[(3-ethylpiperidin-2-yl)methyl]methanesulfonamide
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1-(oxolan-2-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide;hydrochloride
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N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 59418450
N-(pyrrolidin-2-ylmethyl)cyclopentanesulfonamide
CID 115752325
N-(cyclohexylmethyl)-1-piperidin-3-ylmethanesulfonamide
CID 54972626
2-methylsulfonyl-N-(piperidin-2-ylmethyl)ethanesulfonamide
CID 63245222
N-(pyrrolidin-2-ylmethyl)pyrrolidine-1-sulfonamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide;hydrochloride?
The IUPAC name of 1-cyclohexyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide;hydrochloride (CID 119974331) is 1-cyclohexyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide;hydrochloride.
What is the SMILES notation for 1-cyclohexyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide;hydrochloride?
The canonical SMILES for 1-cyclohexyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide;hydrochloride is Cl.O=S(=O)(CC1CCCCC1)NCC1CCCN1.
What is the InChIKey of 1-cyclohexyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide;hydrochloride?
The InChIKey is PDYNKTZKWYJZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S.ClH/c15-17(16,10-11-5-2-1-3-6-11)14-9-12-7-4-8-13-12;/h11-14H,1-10H2;1H.
What are the key properties of 1-cyclohexyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide;hydrochloride?
1-cyclohexyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide;hydrochloride has a molecular weight of 296.86 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide;hydrochloride is sourced from PubChem (CID 119974331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).