N-[4-(hydroxymethyl)cyclohexyl]cyclopentanesulfonamide

C12H23NO3S — CID 115277356

IUPACN-[4-(hydroxymethyl)cyclohexyl]cyclopentanesulfonamide
SMILESO=S(=O)(NC1CCC(CO)CC1)C1CCCC1
InChIInChI=1S/C12H23NO3S/c14-9-10-5-7-11(8-6-10)13-17(15,16)12-3-1-2-4-12/h10-14H,1-9H2
InChIKeyDGYRUMQMLNGILG-UHFFFAOYSA-N
MW261.39 g/mol
LogP1.40
Rot. Bonds4

About N-[4-(hydroxymethyl)cyclohexyl]cyclopentanesulfonamide

N-[4-(hydroxymethyl)cyclohexyl]cyclopentanesulfonamide (PubChem CID 115277356) has the molecular formula C12H23NO3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)cyclohexyl]cyclopentanesulfonamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)cyclohexyl]cyclopentanesulfonamide
PubChem CID115277356
Molecular FormulaC12H23NO3S
Molecular Weight261.39 g/mol
Exact Mass261.14
IUPAC NameN-[4-(hydroxymethyl)cyclohexyl]cyclopentanesulfonamide
SMILESO=S(=O)(NC1CCC(CO)CC1)C1CCCC1
InChIInChI=1S/C12H23NO3S/c14-9-10-5-7-11(8-6-10)13-17(15,16)12-3-1-2-4-12/h10-14H,1-9H2
InChIKeyDGYRUMQMLNGILG-UHFFFAOYSA-N
XLogP1.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(bromomethyl)cyclohexyl]cyclohexanesulfonamide
CID 112753043
N-piperidin-4-ylcyclopentanesulfonamide
CID 115752108
N-(4-bromocyclohexyl)cyclohexanesulfonamide
CID 114295814
N-(azepan-4-yl)cyclopentanesulfonamide
CID 107172836
cis-(1R,3S)-3-(cyclohexylsulfonylamino)cyclopentane-1-carboxylic acid
CID 114173300
N-[1-(cyclopentylmethyl)piperidin-4-yl]cyclopropanesulfonamide
CID 154575693
N-[(1S,3R)-3-(aminomethyl)cyclopentyl]cyclopropanesulfonamide
CID 165443916
cyclohexylmethanol;sulfuric acid
CID 71362926
2-[4-(cyclopentylsulfonylamino)piperidin-1-yl]ethanethioamide
CID 105361155
1-cyclohexyl-3-[4-(hydroxymethyl)cyclohexyl]urea
CID 115270084
4-(cyclopropylsulfamoyl)cyclohexane-1-carboxylic acid
CID 166513762
N-[4-(hydroxymethyl)cyclohexyl]morpholine-4-sulfonamide
CID 112752969

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)cyclohexyl]cyclopentanesulfonamide?
The IUPAC name of N-[4-(hydroxymethyl)cyclohexyl]cyclopentanesulfonamide (CID 115277356) is N-[4-(hydroxymethyl)cyclohexyl]cyclopentanesulfonamide.
What is the SMILES notation for N-[4-(hydroxymethyl)cyclohexyl]cyclopentanesulfonamide?
The canonical SMILES for N-[4-(hydroxymethyl)cyclohexyl]cyclopentanesulfonamide is O=S(=O)(NC1CCC(CO)CC1)C1CCCC1.
What is the InChIKey of N-[4-(hydroxymethyl)cyclohexyl]cyclopentanesulfonamide?
The InChIKey is DGYRUMQMLNGILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S/c14-9-10-5-7-11(8-6-10)13-17(15,16)12-3-1-2-4-12/h10-14H,1-9H2.
What are the key properties of N-[4-(hydroxymethyl)cyclohexyl]cyclopentanesulfonamide?
N-[4-(hydroxymethyl)cyclohexyl]cyclopentanesulfonamide has a molecular weight of 261.39 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)cyclohexyl]cyclopentanesulfonamide is sourced from PubChem (CID 115277356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).