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

C13H18N2O2S2 — CID 105361565

IUPACN-[[5-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]cyclopentanesulfonamide
SMILESNCC#Cc1ccc(CNS(=O)(=O)C2CCCC2)s1
InChIInChI=1S/C13H18N2O2S2/c14-9-3-4-11-7-8-12(18-11)10-15-19(16,17)13-5-1-2-6-13/h7-8,13,15H,1-2,5-6,9-10,14H2
InChIKeyAWIRQYOFYGLPRJ-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.42
Rot. Bonds4

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

N-[[5-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]cyclopentanesulfonamide (PubChem CID 105361565) has the molecular formula C13H18N2O2S2 and a molecular weight of 298.43 g/mol. Its IUPAC name is N-[[5-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]cyclopentanesulfonamide.

Molecular Properties

Compound NameN-[[5-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]cyclopentanesulfonamide
PubChem CID105361565
Molecular FormulaC13H18N2O2S2
Molecular Weight298.43 g/mol
Exact Mass298.08
IUPAC NameN-[[5-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]cyclopentanesulfonamide
SMILESNCC#Cc1ccc(CNS(=O)(=O)C2CCCC2)s1
InChIInChI=1S/C13H18N2O2S2/c14-9-3-4-11-7-8-12(18-11)10-15-19(16,17)13-5-1-2-6-13/h7-8,13,15H,1-2,5-6,9-10,14H2
InChIKeyAWIRQYOFYGLPRJ-UHFFFAOYSA-N
XLogP1.42
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.42
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-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]cyclopentanesulfonamide
CID 105361524
2-(3-aminoprop-1-ynyl)-5-[(sulfamoylamino)methyl]thiophene
CID 114959544
3-[5-[(propylsulfamoylamino)methyl]thiophen-2-yl]prop-2-yn-1-amine
CID 114812190
N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]cyclopentanesulfonamide
CID 105361539
N-[(5-ethylthiophen-2-yl)methyl]piperidine-3-sulfonamide
CID 106013660
1-[[5-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-4-tert-butylpyrrolidin-2-one
CID 104512509
N-[3-(3-aminoprop-1-ynyl)phenyl]cyclopentanesulfonamide
CID 105361542
3-[5-[(2-ethylazepan-1-yl)methyl]thiophen-2-yl]prop-2-yn-1-amine
CID 104691406
3-[5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)thiophen-2-yl]prop-2-yn-1-amine
CID 79935633
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]cyclopentanesulfonamide
CID 102821806
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

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]cyclopentanesulfonamide?
The IUPAC name of N-[[5-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]cyclopentanesulfonamide (CID 105361565) is N-[[5-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]cyclopentanesulfonamide.
What is the SMILES notation for N-[[5-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]cyclopentanesulfonamide?
The canonical SMILES for N-[[5-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]cyclopentanesulfonamide is NCC#Cc1ccc(CNS(=O)(=O)C2CCCC2)s1.
What is the InChIKey of N-[[5-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]cyclopentanesulfonamide?
The InChIKey is AWIRQYOFYGLPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S2/c14-9-3-4-11-7-8-12(18-11)10-15-19(16,17)13-5-1-2-6-13/h7-8,13,15H,1-2,5-6,9-10,14H2.
What are the key properties of N-[[5-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]cyclopentanesulfonamide?
N-[[5-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]cyclopentanesulfonamide has a molecular weight of 298.43 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]cyclopentanesulfonamide is sourced from PubChem (CID 105361565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).