1-cyclohexyl-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide

C12H25NO3S — CID 54947469

IUPAC1-cyclohexyl-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(CCO)S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C12H25NO3S/c1-11(2)13(8-9-14)17(15,16)10-12-6-4-3-5-7-12/h11-12,14H,3-10H2,1-2H3
InChIKeyZHNQGPHJXCBFGZ-UHFFFAOYSA-N
MW263.40 g/mol
LogP1.60
Rot. Bonds6

About 1-cyclohexyl-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide

1-cyclohexyl-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide (PubChem CID 54947469) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is 1-cyclohexyl-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound Name1-cyclohexyl-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide
PubChem CID54947469
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC Name1-cyclohexyl-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(CCO)S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C12H25NO3S/c1-11(2)13(8-9-14)17(15,16)10-12-6-4-3-5-7-12/h11-12,14H,3-10H2,1-2H3
InChIKeyZHNQGPHJXCBFGZ-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloropropyl)-1-cyclohexyl-N-propan-2-ylmethanesulfonamide
CID 55186312
3-[cyclohexylmethylsulfonyl(propan-2-yl)amino]propanethioamide
CID 54998240
N-(2-hydroxyethyl)-1-(oxolan-2-yl)-N-propan-2-ylmethanesulfonamide
CID 63247520
N-(2-chloroethyl)-1-cyclopropyl-N-propan-2-ylmethanesulfonamide
CID 64989097
2-[cyclohexylmethylsulfonyl(propan-2-yl)amino]-N'-hydroxyethanimidamide
CID 77037895
N-(2-hydroxyethyl)-N-pentan-3-yl-1-piperidin-4-ylmethanesulfonamide
CID 54999169
1-cyclohexyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylmethanesulfonamide
CID 106630965
N-(3-hydroxypropyl)-N-propan-2-ylcyclohexanesulfonamide
CID 61066384
1-cyclohexyl-N-[(2R)-1-hydroxypropan-2-yl]methanesulfonamide
CID 64722343
N-(3-amino-4-methylpentyl)-1-cyclohexyl-N-methylmethanesulfonamide;hydrochloride
CID 119992202
N-butyl-N-(2-chloroethyl)-1-cyclohexylmethanesulfonamide
CID 63396856
N-(2-hydroxyethyl)-N-propan-2-ylpropane-2-sulfonamide
CID 60865128

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide?
The IUPAC name of 1-cyclohexyl-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide (CID 54947469) is 1-cyclohexyl-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for 1-cyclohexyl-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for 1-cyclohexyl-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide is CC(C)N(CCO)S(=O)(=O)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide?
The InChIKey is ZHNQGPHJXCBFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-11(2)13(8-9-14)17(15,16)10-12-6-4-3-5-7-12/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 1-cyclohexyl-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide?
1-cyclohexyl-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide has a molecular weight of 263.40 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 54947469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).