[2-methylsulfonyl-1-(thiophen-2-ylmethylamino)cyclopentyl]methanol

C12H19NO3S2 — CID 65049782

IUPAC[2-methylsulfonyl-1-(thiophen-2-ylmethylamino)cyclopentyl]methanol
SMILESCS(=O)(=O)C1CCCC1(CO)NCc1cccs1
InChIInChI=1S/C12H19NO3S2/c1-18(15,16)11-5-2-6-12(11,9-14)13-8-10-4-3-7-17-10/h3-4,7,11,13-14H,2,5-6,8-9H2,1H3
InChIKeyDPLSQHSPPSHTBR-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.17
Rot. Bonds5

About [2-methylsulfonyl-1-(thiophen-2-ylmethylamino)cyclopentyl]methanol

[2-methylsulfonyl-1-(thiophen-2-ylmethylamino)cyclopentyl]methanol (PubChem CID 65049782) has the molecular formula C12H19NO3S2 and a molecular weight of 289.42 g/mol. Its IUPAC name is [2-methylsulfonyl-1-(thiophen-2-ylmethylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[2-methylsulfonyl-1-(thiophen-2-ylmethylamino)cyclopentyl]methanol
PubChem CID65049782
Molecular FormulaC12H19NO3S2
Molecular Weight289.42 g/mol
Exact Mass289.08
IUPAC Name[2-methylsulfonyl-1-(thiophen-2-ylmethylamino)cyclopentyl]methanol
SMILESCS(=O)(=O)C1CCCC1(CO)NCc1cccs1
InChIInChI=1S/C12H19NO3S2/c1-18(15,16)11-5-2-6-12(11,9-14)13-8-10-4-3-7-17-10/h3-4,7,11,13-14H,2,5-6,8-9H2,1H3
InChIKeyDPLSQHSPPSHTBR-UHFFFAOYSA-N
XLogP1.17
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-methylsulfonyl-1-(thiophen-2-ylmethylamino)cyclopentyl]methanol?
The IUPAC name of [2-methylsulfonyl-1-(thiophen-2-ylmethylamino)cyclopentyl]methanol (CID 65049782) is [2-methylsulfonyl-1-(thiophen-2-ylmethylamino)cyclopentyl]methanol.
What is the SMILES notation for [2-methylsulfonyl-1-(thiophen-2-ylmethylamino)cyclopentyl]methanol?
The canonical SMILES for [2-methylsulfonyl-1-(thiophen-2-ylmethylamino)cyclopentyl]methanol is CS(=O)(=O)C1CCCC1(CO)NCc1cccs1.
What is the InChIKey of [2-methylsulfonyl-1-(thiophen-2-ylmethylamino)cyclopentyl]methanol?
The InChIKey is DPLSQHSPPSHTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S2/c1-18(15,16)11-5-2-6-12(11,9-14)13-8-10-4-3-7-17-10/h3-4,7,11,13-14H,2,5-6,8-9H2,1H3.
What are the key properties of [2-methylsulfonyl-1-(thiophen-2-ylmethylamino)cyclopentyl]methanol?
[2-methylsulfonyl-1-(thiophen-2-ylmethylamino)cyclopentyl]methanol has a molecular weight of 289.42 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methylsulfonyl-1-(thiophen-2-ylmethylamino)cyclopentyl]methanol is sourced from PubChem (CID 65049782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).