N-(1-cyclopropylbutan-2-yl)-3-(methylaminomethyl)piperidine-1-sulfonamide

C14H29N3O2S — CID 106063964

IUPACN-(1-cyclopropylbutan-2-yl)-3-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCCC(CC1CC1)NS(=O)(=O)N1CCCC(CNC)C1
InChIInChI=1S/C14H29N3O2S/c1-3-14(9-12-6-7-12)16-20(18,19)17-8-4-5-13(11-17)10-15-2/h12-16H,3-11H2,1-2H3
InChIKeyAZBIFDCXOGFVEP-UHFFFAOYSA-N
MW303.47 g/mol
LogP1.33
Rot. Bonds8

About N-(1-cyclopropylbutan-2-yl)-3-(methylaminomethyl)piperidine-1-sulfonamide

N-(1-cyclopropylbutan-2-yl)-3-(methylaminomethyl)piperidine-1-sulfonamide (PubChem CID 106063964) has the molecular formula C14H29N3O2S and a molecular weight of 303.47 g/mol. Its IUPAC name is N-(1-cyclopropylbutan-2-yl)-3-(methylaminomethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(1-cyclopropylbutan-2-yl)-3-(methylaminomethyl)piperidine-1-sulfonamide
PubChem CID106063964
Molecular FormulaC14H29N3O2S
Molecular Weight303.47 g/mol
Exact Mass303.20
IUPAC NameN-(1-cyclopropylbutan-2-yl)-3-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCCC(CC1CC1)NS(=O)(=O)N1CCCC(CNC)C1
InChIInChI=1S/C14H29N3O2S/c1-3-14(9-12-6-7-12)16-20(18,19)17-8-4-5-13(11-17)10-15-2/h12-16H,3-11H2,1-2H3
InChIKeyAZBIFDCXOGFVEP-UHFFFAOYSA-N
XLogP1.33
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclopropylbutan-2-yl)-3-(ethylaminomethyl)piperidine-1-sulfonamide
CID 106063963
N-[1-(diethylamino)propan-2-yl]-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106052235
3-(methylaminomethyl)-N-(1-pyridin-4-ylethyl)piperidine-1-sulfonamide
CID 106022034
3-(methylaminomethyl)-N-(1-thiophen-2-ylpropyl)piperidine-1-sulfonamide
CID 106053452
3-(methylaminomethyl)-N-[(4-methylcyclohexyl)methyl]piperidine-1-sulfonamide
CID 106062375
3-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)piperidine-1-sulfonamide
CID 106017835
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119961049
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 79611003
1-(1-cyclopentylsulfonylpiperidin-3-yl)-N-methylmethanamine
CID 115752117
3-(methylaminomethyl)-N-(2-methylpentan-2-yl)piperidine-1-sulfonamide
CID 106079419
N-(3-ethyl-2-methylcyclopentyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106067908
N-(2-methoxypropyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 102701574

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylbutan-2-yl)-3-(methylaminomethyl)piperidine-1-sulfonamide?
The IUPAC name of N-(1-cyclopropylbutan-2-yl)-3-(methylaminomethyl)piperidine-1-sulfonamide (CID 106063964) is N-(1-cyclopropylbutan-2-yl)-3-(methylaminomethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(1-cyclopropylbutan-2-yl)-3-(methylaminomethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-(1-cyclopropylbutan-2-yl)-3-(methylaminomethyl)piperidine-1-sulfonamide is CCC(CC1CC1)NS(=O)(=O)N1CCCC(CNC)C1.
What is the InChIKey of N-(1-cyclopropylbutan-2-yl)-3-(methylaminomethyl)piperidine-1-sulfonamide?
The InChIKey is AZBIFDCXOGFVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2S/c1-3-14(9-12-6-7-12)16-20(18,19)17-8-4-5-13(11-17)10-15-2/h12-16H,3-11H2,1-2H3.
What are the key properties of N-(1-cyclopropylbutan-2-yl)-3-(methylaminomethyl)piperidine-1-sulfonamide?
N-(1-cyclopropylbutan-2-yl)-3-(methylaminomethyl)piperidine-1-sulfonamide has a molecular weight of 303.47 g/mol, XLogP of 1.33, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylbutan-2-yl)-3-(methylaminomethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106063964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).