4-[[(2-methylsulfonylcyclopentyl)amino]methyl]oxan-4-ol

C12H23NO4S — CID 81131287

IUPAC4-[[(2-methylsulfonylcyclopentyl)amino]methyl]oxan-4-ol
SMILESCS(=O)(=O)C1CCCC1NCC1(O)CCOCC1
InChIInChI=1S/C12H23NO4S/c1-18(15,16)11-4-2-3-10(11)13-9-12(14)5-7-17-8-6-12/h10-11,13-14H,2-9H2,1H3
InChIKeyKXDCCARDMCTKIJ-UHFFFAOYSA-N
MW277.39 g/mol
LogP0.08
Rot. Bonds4

About 4-[[(2-methylsulfonylcyclopentyl)amino]methyl]oxan-4-ol

4-[[(2-methylsulfonylcyclopentyl)amino]methyl]oxan-4-ol (PubChem CID 81131287) has the molecular formula C12H23NO4S and a molecular weight of 277.39 g/mol. Its IUPAC name is 4-[[(2-methylsulfonylcyclopentyl)amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(2-methylsulfonylcyclopentyl)amino]methyl]oxan-4-ol
PubChem CID81131287
Molecular FormulaC12H23NO4S
Molecular Weight277.39 g/mol
Exact Mass277.13
IUPAC Name4-[[(2-methylsulfonylcyclopentyl)amino]methyl]oxan-4-ol
SMILESCS(=O)(=O)C1CCCC1NCC1(O)CCOCC1
InChIInChI=1S/C12H23NO4S/c1-18(15,16)11-4-2-3-10(11)13-9-12(14)5-7-17-8-6-12/h10-11,13-14H,2-9H2,1H3
InChIKeyKXDCCARDMCTKIJ-UHFFFAOYSA-N
XLogP0.08
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-1-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol
CID 65115654
N-[(1-methylcyclopropyl)methyl]-2-methylsulfonylcyclopentan-1-amine
CID 103914483
N-[(1-methylcyclopentyl)methyl]-2-methylsulfonylcyclopentan-1-amine
CID 65045704
2-methylsulfonyl-N-(oxan-4-ylmethyl)cyclopentan-1-amine
CID 65045602
4-[[(2-ethylcyclohexyl)amino]methyl]oxan-4-ol
CID 81130333
N-[(1-ethylcyclopentyl)methyl]-2-methylsulfonylcyclopentan-1-amine
CID 113350840
N,N-dimethyl-1-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-amine
CID 65047071
N-(cyclopropylmethyl)-2-methylsulfonylcyclopentan-1-amine
CID 65046998
2-[(2-methylsulfonylcyclopentyl)amino]acetamide
CID 65046579
N-(2,2-difluoroethyl)-2-methylsulfonylcyclopentan-1-amine
CID 115405922
3-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]oxolan-3-ol
CID 106100705
4-[[(3-ethylcyclohexyl)amino]methyl]oxan-4-ol
CID 79033062

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-methylsulfonylcyclopentyl)amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(2-methylsulfonylcyclopentyl)amino]methyl]oxan-4-ol (CID 81131287) is 4-[[(2-methylsulfonylcyclopentyl)amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(2-methylsulfonylcyclopentyl)amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(2-methylsulfonylcyclopentyl)amino]methyl]oxan-4-ol is CS(=O)(=O)C1CCCC1NCC1(O)CCOCC1.
What is the InChIKey of 4-[[(2-methylsulfonylcyclopentyl)amino]methyl]oxan-4-ol?
The InChIKey is KXDCCARDMCTKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4S/c1-18(15,16)11-4-2-3-10(11)13-9-12(14)5-7-17-8-6-12/h10-11,13-14H,2-9H2,1H3.
What are the key properties of 4-[[(2-methylsulfonylcyclopentyl)amino]methyl]oxan-4-ol?
4-[[(2-methylsulfonylcyclopentyl)amino]methyl]oxan-4-ol has a molecular weight of 277.39 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-methylsulfonylcyclopentyl)amino]methyl]oxan-4-ol is sourced from PubChem (CID 81131287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).