N-(3-hydroxypropyl)-N-propan-2-ylcyclohexanesulfonamide

C12H25NO3S — CID 61066384

IUPACN-(3-hydroxypropyl)-N-propan-2-ylcyclohexanesulfonamide
SMILESCC(C)N(CCCO)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C12H25NO3S/c1-11(2)13(9-6-10-14)17(15,16)12-7-4-3-5-8-12/h11-12,14H,3-10H2,1-2H3
InChIKeyVMQMGNRSGQWRSQ-UHFFFAOYSA-N
MW263.40 g/mol
LogP1.74
Rot. Bonds6

About N-(3-hydroxypropyl)-N-propan-2-ylcyclohexanesulfonamide

N-(3-hydroxypropyl)-N-propan-2-ylcyclohexanesulfonamide (PubChem CID 61066384) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-N-propan-2-ylcyclohexanesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-N-propan-2-ylcyclohexanesulfonamide
PubChem CID61066384
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC NameN-(3-hydroxypropyl)-N-propan-2-ylcyclohexanesulfonamide
SMILESCC(C)N(CCCO)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C12H25NO3S/c1-11(2)13(9-6-10-14)17(15,16)12-7-4-3-5-8-12/h11-12,14H,3-10H2,1-2H3
InChIKeyVMQMGNRSGQWRSQ-UHFFFAOYSA-N
XLogP1.74
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclohexylsulfonyl(propan-2-yl)amino]-N'-hydroxypropanimidamide
CID 54996916
N-(3-chloropropyl)-N-propan-2-ylcyclopropanesulfonamide
CID 64552243
2-[cyclopentylsulfonyl(propan-2-yl)amino]acetic acid
CID 105360726
methyl 2-[3-hydroxypropyl(propan-2-yl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342722
1-hydroxy-3-[propan-2-yl(sulfamoyl)amino]propane
CID 112689196
1-[3-hydroxypropyl(propan-2-yl)sulfamoyl]piperidine-2-carboxylic acid
CID 61039163
1-cyclohexyl-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide
CID 54947469
4-[(1,1-dioxothian-4-yl)sulfonyl-propan-2-ylamino]butanoic acid
CID 62083694
N-(3-aminopropyl)-1,1-dioxo-N-propan-2-ylthiane-4-sulfonamide
CID 62086183
N-(3-hydroxypropyl)-N-propan-2-ylcyclooctanecarboxamide
CID 65023347
3-cyclohexyl-1-(3-hydroxypropyl)-1-propan-2-ylurea
CID 54916723
2-[3-hydroxypropyl(propan-2-yl)sulfamoyl]propanoic acid
CID 61457845

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-N-propan-2-ylcyclohexanesulfonamide?
The IUPAC name of N-(3-hydroxypropyl)-N-propan-2-ylcyclohexanesulfonamide (CID 61066384) is N-(3-hydroxypropyl)-N-propan-2-ylcyclohexanesulfonamide.
What is the SMILES notation for N-(3-hydroxypropyl)-N-propan-2-ylcyclohexanesulfonamide?
The canonical SMILES for N-(3-hydroxypropyl)-N-propan-2-ylcyclohexanesulfonamide is CC(C)N(CCCO)S(=O)(=O)C1CCCCC1.
What is the InChIKey of N-(3-hydroxypropyl)-N-propan-2-ylcyclohexanesulfonamide?
The InChIKey is VMQMGNRSGQWRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-11(2)13(9-6-10-14)17(15,16)12-7-4-3-5-8-12/h11-12,14H,3-10H2,1-2H3.
What are the key properties of N-(3-hydroxypropyl)-N-propan-2-ylcyclohexanesulfonamide?
N-(3-hydroxypropyl)-N-propan-2-ylcyclohexanesulfonamide has a molecular weight of 263.40 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-N-propan-2-ylcyclohexanesulfonamide is sourced from PubChem (CID 61066384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).