N-[1-(hydroxymethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide

C12H23NO4S — CID 63247259

IUPACN-[1-(hydroxymethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide
SMILESO=S(=O)(CC1CCCO1)NC1(CO)CCCCC1
InChIInChI=1S/C12H23NO4S/c14-10-12(6-2-1-3-7-12)13-18(15,16)9-11-5-4-8-17-11/h11,13-14H,1-10H2
InChIKeyHENGJECKKULADI-UHFFFAOYSA-N
MW277.39 g/mol
LogP0.78
Rot. Bonds5

About N-[1-(hydroxymethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide

N-[1-(hydroxymethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 63247259) has the molecular formula C12H23NO4S and a molecular weight of 277.39 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide
PubChem CID63247259
Molecular FormulaC12H23NO4S
Molecular Weight277.39 g/mol
Exact Mass277.13
IUPAC NameN-[1-(hydroxymethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide
SMILESO=S(=O)(CC1CCCO1)NC1(CO)CCCCC1
InChIInChI=1S/C12H23NO4S/c14-10-12(6-2-1-3-7-12)13-18(15,16)9-11-5-4-8-17-11/h11,13-14H,1-10H2
InChIKeyHENGJECKKULADI-UHFFFAOYSA-N
XLogP0.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(hydroxymethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(bromomethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide
CID 113271040
N-[1-(bromomethyl)cyclopentyl]-1-(oxolan-2-yl)methanesulfonamide
CID 114297170
N-[4-(aminomethyl)oxan-4-yl]-1-(oxolan-2-yl)methanesulfonamide
CID 114170083
N-(1-cyanocycloheptyl)-1-(oxolan-2-yl)methanesulfonamide
CID 55173729
N-[(1-aminocycloheptyl)methyl]-1-(oxolan-2-yl)methanesulfonamide;hydrochloride
CID 119998562
N-[(1-hydroxycyclopentyl)methyl]-1-(oxolan-2-yl)methanesulfonamide
CID 65113198
N-[(1-aminocyclohexyl)methyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63247002
2-(oxolan-2-ylmethylsulfonylamino)acetic acid
CID 63246701
(2R)-2-(oxolan-2-ylmethylsulfonylamino)propanoic acid
CID 78927442
N-(3-hydroxypropyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63247384
N-[(4-hydroxyoxan-4-yl)methyl]-1-(oxolan-2-yl)methanesulfonamide
CID 81131179
N-(2-aminoethyl)-1-(oxolan-2-yl)methanesulfonamide;hydrochloride
CID 119960022

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide (CID 63247259) is N-[1-(hydroxymethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide is O=S(=O)(CC1CCCO1)NC1(CO)CCCCC1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is HENGJECKKULADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4S/c14-10-12(6-2-1-3-7-12)13-18(15,16)9-11-5-4-8-17-11/h11,13-14H,1-10H2.
What are the key properties of N-[1-(hydroxymethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide?
N-[1-(hydroxymethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 277.39 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 63247259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).