N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]propane-1-sulfonamide

C15H25NO3S2 — CID 121179107

IUPACN-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC1(c2ccc(C(C)O)s2)CCCC1
InChIInChI=1S/C15H25NO3S2/c1-3-10-21(18,19)16-11-15(8-4-5-9-15)14-7-6-13(20-14)12(2)17/h6-7,12,16-17H,3-5,8-11H2,1-2H3
InChIKeyKKSDYDUQHGWCKX-UHFFFAOYSA-N
MW331.50 g/mol
LogP2.94
Rot. Bonds7

About N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]propane-1-sulfonamide

N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]propane-1-sulfonamide (PubChem CID 121179107) has the molecular formula C15H25NO3S2 and a molecular weight of 331.50 g/mol. Its IUPAC name is N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]propane-1-sulfonamide
PubChem CID121179107
Molecular FormulaC15H25NO3S2
Molecular Weight331.50 g/mol
Exact Mass331.13
IUPAC NameN-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC1(c2ccc(C(C)O)s2)CCCC1
InChIInChI=1S/C15H25NO3S2/c1-3-10-21(18,19)16-11-15(8-4-5-9-15)14-7-6-13(20-14)12(2)17/h6-7,12,16-17H,3-5,8-11H2,1-2H3
InChIKeyKKSDYDUQHGWCKX-UHFFFAOYSA-N
XLogP2.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]propane-1-sulfonamide?
The IUPAC name of N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]propane-1-sulfonamide (CID 121179107) is N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]propane-1-sulfonamide?
The canonical SMILES for N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]propane-1-sulfonamide is CCCS(=O)(=O)NCC1(c2ccc(C(C)O)s2)CCCC1.
What is the InChIKey of N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]propane-1-sulfonamide?
The InChIKey is KKSDYDUQHGWCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S2/c1-3-10-21(18,19)16-11-15(8-4-5-9-15)14-7-6-13(20-14)12(2)17/h6-7,12,16-17H,3-5,8-11H2,1-2H3.
What are the key properties of N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]propane-1-sulfonamide?
N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]propane-1-sulfonamide has a molecular weight of 331.50 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]propane-1-sulfonamide is sourced from PubChem (CID 121179107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).