N-[1-(aminomethyl)cyclopentyl]-3-cyanopropane-1-sulfonamide

C10H19N3O2S — CID 86780680

IUPACN-[1-(aminomethyl)cyclopentyl]-3-cyanopropane-1-sulfonamide
SMILESN#CCCCS(=O)(=O)NC1(CN)CCCC1
InChIInChI=1S/C10H19N3O2S/c11-7-3-4-8-16(14,15)13-10(9-12)5-1-2-6-10/h13H,1-6,8-9,12H2
InChIKeyRLPWXNGRFRFXSB-UHFFFAOYSA-N
MW245.35 g/mol
LogP0.48
Rot. Bonds6

About N-[1-(aminomethyl)cyclopentyl]-3-cyanopropane-1-sulfonamide

N-[1-(aminomethyl)cyclopentyl]-3-cyanopropane-1-sulfonamide (PubChem CID 86780680) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-3-cyanopropane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-3-cyanopropane-1-sulfonamide
PubChem CID86780680
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-3-cyanopropane-1-sulfonamide
SMILESN#CCCCS(=O)(=O)NC1(CN)CCCC1
InChIInChI=1S/C10H19N3O2S/c11-7-3-4-8-16(14,15)13-10(9-12)5-1-2-6-10/h13H,1-6,8-9,12H2
InChIKeyRLPWXNGRFRFXSB-UHFFFAOYSA-N
XLogP0.48
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-cyanopropane-1-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-cyanopropane-1-sulfonamide (CID 86780680) is N-[1-(aminomethyl)cyclopentyl]-3-cyanopropane-1-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-3-cyanopropane-1-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-3-cyanopropane-1-sulfonamide is N#CCCCS(=O)(=O)NC1(CN)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-3-cyanopropane-1-sulfonamide?
The InChIKey is RLPWXNGRFRFXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c11-7-3-4-8-16(14,15)13-10(9-12)5-1-2-6-10/h13H,1-6,8-9,12H2.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-3-cyanopropane-1-sulfonamide?
N-[1-(aminomethyl)cyclopentyl]-3-cyanopropane-1-sulfonamide has a molecular weight of 245.35 g/mol, XLogP of 0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-3-cyanopropane-1-sulfonamide is sourced from PubChem (CID 86780680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).