N-(3-cyanopropylsulfonyl)-3-thiophen-2-ylpropanamide

C11H14N2O3S2 — CID 84597060

IUPACN-(3-cyanopropylsulfonyl)-3-thiophen-2-ylpropanamide
SMILESN#CCCCS(=O)(=O)NC(=O)CCc1cccs1
InChIInChI=1S/C11H14N2O3S2/c12-7-1-2-9-18(15,16)13-11(14)6-5-10-4-3-8-17-10/h3-4,8H,1-2,5-6,9H2,(H,13,14)
InChIKeyKBOJUUPYPCRHFG-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.43
Rot. Bonds7

About N-(3-cyanopropylsulfonyl)-3-thiophen-2-ylpropanamide

N-(3-cyanopropylsulfonyl)-3-thiophen-2-ylpropanamide (PubChem CID 84597060) has the molecular formula C11H14N2O3S2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(3-cyanopropylsulfonyl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-(3-cyanopropylsulfonyl)-3-thiophen-2-ylpropanamide
PubChem CID84597060
Molecular FormulaC11H14N2O3S2
Molecular Weight286.38 g/mol
Exact Mass286.04
IUPAC NameN-(3-cyanopropylsulfonyl)-3-thiophen-2-ylpropanamide
SMILESN#CCCCS(=O)(=O)NC(=O)CCc1cccs1
InChIInChI=1S/C11H14N2O3S2/c12-7-1-2-9-18(15,16)13-11(14)6-5-10-4-3-8-17-10/h3-4,8H,1-2,5-6,9H2,(H,13,14)
InChIKeyKBOJUUPYPCRHFG-UHFFFAOYSA-N
XLogP1.43
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-cyanobutyl)-4-thiophen-2-ylbutanamide
CID 63284935
3-oxo-6-thiophen-2-ylhexanenitrile
CID 28905616
N'-methyl-3-thiophen-2-ylpropanehydrazide
CID 116846300
4-amino-6-methylsulfonyl-1-thiophen-2-ylhexan-3-one
CID 116551988
N-[(2S)-1-aminopropan-2-yl]-3-thiophen-2-ylpropanamide
CID 120509228
5-(3-thiophen-2-ylpropanoylamino)pentanoic acid
CID 62031946
N-[2-[di(propan-2-yl)amino]ethyl]-3-thiophen-2-ylpropanamide
CID 78791751
2-phenyl-3-(3-thiophen-2-ylpropanoylamino)propanoic acid
CID 62884026
N-[(2R)-2-(ethylamino)propyl]-3-thiophen-2-ylpropanamide
CID 120655245
N-(2-cyanoethyl)-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide
CID 63291377
cis-(1S,2R)-2-methyl-N-(2-thiophen-2-ylethylsulfonyl)cyclopropane-1-carboxamide
CID 99859027
5-thiophen-2-ylpentanehydrazide
CID 70194284

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanopropylsulfonyl)-3-thiophen-2-ylpropanamide?
The IUPAC name of N-(3-cyanopropylsulfonyl)-3-thiophen-2-ylpropanamide (CID 84597060) is N-(3-cyanopropylsulfonyl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-(3-cyanopropylsulfonyl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-(3-cyanopropylsulfonyl)-3-thiophen-2-ylpropanamide is N#CCCCS(=O)(=O)NC(=O)CCc1cccs1.
What is the InChIKey of N-(3-cyanopropylsulfonyl)-3-thiophen-2-ylpropanamide?
The InChIKey is KBOJUUPYPCRHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S2/c12-7-1-2-9-18(15,16)13-11(14)6-5-10-4-3-8-17-10/h3-4,8H,1-2,5-6,9H2,(H,13,14).
What are the key properties of N-(3-cyanopropylsulfonyl)-3-thiophen-2-ylpropanamide?
N-(3-cyanopropylsulfonyl)-3-thiophen-2-ylpropanamide has a molecular weight of 286.38 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanopropylsulfonyl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 84597060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).