N-(cyclopropylmethyl)-N-prop-2-ynylpiperidine-1-sulfonamide

C12H20N2O2S — CID 115556534

IUPACN-(cyclopropylmethyl)-N-prop-2-ynylpiperidine-1-sulfonamide
SMILESC#CCN(CC1CC1)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C12H20N2O2S/c1-2-8-14(11-12-6-7-12)17(15,16)13-9-4-3-5-10-13/h1,12H,3-11H2
InChIKeyYPNVRLZBJDFCJD-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.06
Rot. Bonds5

About N-(cyclopropylmethyl)-N-prop-2-ynylpiperidine-1-sulfonamide

N-(cyclopropylmethyl)-N-prop-2-ynylpiperidine-1-sulfonamide (PubChem CID 115556534) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-prop-2-ynylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-prop-2-ynylpiperidine-1-sulfonamide
PubChem CID115556534
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-(cyclopropylmethyl)-N-prop-2-ynylpiperidine-1-sulfonamide
SMILESC#CCN(CC1CC1)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C12H20N2O2S/c1-2-8-14(11-12-6-7-12)17(15,16)13-9-4-3-5-10-13/h1,12H,3-11H2
InChIKeyYPNVRLZBJDFCJD-UHFFFAOYSA-N
XLogP1.06
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopropylmethyl)-N-prop-2-ynylpyrrolidine-1-sulfonamide
CID 115556438
N-propyl-N-prop-2-ynylpyrrolidine-1-sulfonamide
CID 78942640
N-(cyclopropylmethyl)-N-prop-2-ynylcyclopropanesulfonamide
CID 115556536
N-benzyl-N-(cyclobutylmethyl)piperidine-1-sulfonamide
CID 86841877
[tert-butylsulfamoyl(prop-2-ynyl)amino]methylcyclopropane
CID 114812579
N-(cyclopropylmethyl)-2-propan-2-yloxy-N-prop-2-ynylethanesulfonamide
CID 115556523
N-(cyclopropylmethyl)-N-prop-2-ynylbenzenesulfonamide
CID 80965589
N-(1,1-dioxothiolan-3-yl)-N-prop-2-ynylazepane-1-sulfonamide
CID 60542629
[2-methylpropylsulfamoyl(prop-2-ynyl)amino]methylcyclopropane
CID 114816677
2,5-dichloro-N-(cyclopropylmethyl)-N-prop-2-ynylthiophene-3-sulfonamide
CID 113334782
ethyl 3-[cyclopropylmethyl(prop-2-ynyl)sulfamoyl]propanoate
CID 113334772
N-(cyclopropylmethyl)-3-methyl-N-propylpiperidine-1-sulfonamide
CID 78848929

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-prop-2-ynylpiperidine-1-sulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-N-prop-2-ynylpiperidine-1-sulfonamide (CID 115556534) is N-(cyclopropylmethyl)-N-prop-2-ynylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-prop-2-ynylpiperidine-1-sulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-prop-2-ynylpiperidine-1-sulfonamide is C#CCN(CC1CC1)S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-prop-2-ynylpiperidine-1-sulfonamide?
The InChIKey is YPNVRLZBJDFCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-2-8-14(11-12-6-7-12)17(15,16)13-9-4-3-5-10-13/h1,12H,3-11H2.
What are the key properties of N-(cyclopropylmethyl)-N-prop-2-ynylpiperidine-1-sulfonamide?
N-(cyclopropylmethyl)-N-prop-2-ynylpiperidine-1-sulfonamide has a molecular weight of 256.37 g/mol, XLogP of 1.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-prop-2-ynylpiperidine-1-sulfonamide is sourced from PubChem (CID 115556534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).