N-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]cyclopentanesulfonamide

C13H17NO3S2 — CID 105361524

IUPACN-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]cyclopentanesulfonamide
SMILESO=S(=O)(NCc1ccc(C#CCO)s1)C1CCCC1
InChIInChI=1S/C13H17NO3S2/c15-9-3-4-11-7-8-12(18-11)10-14-19(16,17)13-5-1-2-6-13/h7-8,13-15H,1-2,5-6,9-10H2
InChIKeyQREFOJSBCLPBMI-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.45
Rot. Bonds4

About N-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]cyclopentanesulfonamide

N-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]cyclopentanesulfonamide (PubChem CID 105361524) has the molecular formula C13H17NO3S2 and a molecular weight of 299.42 g/mol. Its IUPAC name is N-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]cyclopentanesulfonamide.

Molecular Properties

Compound NameN-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]cyclopentanesulfonamide
PubChem CID105361524
Molecular FormulaC13H17NO3S2
Molecular Weight299.42 g/mol
Exact Mass299.06
IUPAC NameN-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]cyclopentanesulfonamide
SMILESO=S(=O)(NCc1ccc(C#CCO)s1)C1CCCC1
InChIInChI=1S/C13H17NO3S2/c15-9-3-4-11-7-8-12(18-11)10-14-19(16,17)13-5-1-2-6-13/h7-8,13-15H,1-2,5-6,9-10H2
InChIKeyQREFOJSBCLPBMI-UHFFFAOYSA-N
XLogP1.45
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]cyclopentanesulfonamide
CID 105361565
N-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]cyclopentanesulfonamide
CID 105361529
3-[5-[(2-methylpropylsulfamoylamino)methyl]thiophen-2-yl]prop-2-yn-1-ol
CID 114816459
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]cyclopentanesulfonamide
CID 105361479
4-chloro-N-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-1-methylpyrazole-5-sulfonamide
CID 106315626
N-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclohexanesulfonamide
CID 61058963
N-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-5-methyloxolane-2-carboxamide
CID 81329988
N-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-1,1-dioxothiolane-3-carboxamide
CID 64905801
N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]oxane-4-sulfonamide
CID 62048459
2-(3-aminoprop-1-ynyl)-5-[(sulfamoylamino)methyl]thiophene
CID 114959544
N-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]cyclopentanesulfonamide
CID 105361505
N-[(5-ethylthiophen-2-yl)methyl]piperidine-3-sulfonamide
CID 106013660

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]cyclopentanesulfonamide?
The IUPAC name of N-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]cyclopentanesulfonamide (CID 105361524) is N-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]cyclopentanesulfonamide.
What is the SMILES notation for N-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]cyclopentanesulfonamide?
The canonical SMILES for N-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]cyclopentanesulfonamide is O=S(=O)(NCc1ccc(C#CCO)s1)C1CCCC1.
What is the InChIKey of N-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]cyclopentanesulfonamide?
The InChIKey is QREFOJSBCLPBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S2/c15-9-3-4-11-7-8-12(18-11)10-14-19(16,17)13-5-1-2-6-13/h7-8,13-15H,1-2,5-6,9-10H2.
What are the key properties of N-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]cyclopentanesulfonamide?
N-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]cyclopentanesulfonamide has a molecular weight of 299.42 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]cyclopentanesulfonamide is sourced from PubChem (CID 105361524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).