N-(2-methylbutan-2-yl)-3-(propylaminomethyl)piperidine-1-sulfonamide

C14H31N3O2S — CID 106031594

IUPACN-(2-methylbutan-2-yl)-3-(propylaminomethyl)piperidine-1-sulfonamide
SMILESCCCNCC1CCCN(S(=O)(=O)NC(C)(C)CC)C1
InChIInChI=1S/C14H31N3O2S/c1-5-9-15-11-13-8-7-10-17(12-13)20(18,19)16-14(3,4)6-2/h13,15-16H,5-12H2,1-4H3
InChIKeyCVNYRIKAMVHUJR-UHFFFAOYSA-N
MW305.49 g/mol
LogP1.72
Rot. Bonds8

About N-(2-methylbutan-2-yl)-3-(propylaminomethyl)piperidine-1-sulfonamide

N-(2-methylbutan-2-yl)-3-(propylaminomethyl)piperidine-1-sulfonamide (PubChem CID 106031594) has the molecular formula C14H31N3O2S and a molecular weight of 305.49 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-3-(propylaminomethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-3-(propylaminomethyl)piperidine-1-sulfonamide
PubChem CID106031594
Molecular FormulaC14H31N3O2S
Molecular Weight305.49 g/mol
Exact Mass305.21
IUPAC NameN-(2-methylbutan-2-yl)-3-(propylaminomethyl)piperidine-1-sulfonamide
SMILESCCCNCC1CCCN(S(=O)(=O)NC(C)(C)CC)C1
InChIInChI=1S/C14H31N3O2S/c1-5-9-15-11-13-8-7-10-17(12-13)20(18,19)16-14(3,4)6-2/h13,15-16H,5-12H2,1-4H3
InChIKeyCVNYRIKAMVHUJR-UHFFFAOYSA-N
XLogP1.72
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-1-amine
CID 63878581
3-(methylaminomethyl)-N-(2-methylpentan-2-yl)piperidine-1-sulfonamide
CID 106079419
N-(2-methylsulfanylethyl)-3-(propylaminomethyl)piperidine-1-sulfonamide
CID 106063829
N-(1-cyclobutylethyl)-3-(propylaminomethyl)piperidine-1-sulfonamide
CID 106084943
N-(3-methylcyclopentyl)-3-(propylaminomethyl)piperidine-1-sulfonamide
CID 114552073
N-[1-(dimethylamino)propan-2-yl]-3-(propylaminomethyl)piperidine-1-sulfonamide
CID 106074497
3-(propylaminomethyl)-N-(thiolan-2-ylmethyl)piperidine-1-sulfonamide
CID 106071762
N-[[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]propan-1-amine
CID 63879807
N-[(1-methylsulfonylpiperidin-3-yl)methyl]hexan-1-amine
CID 79609727
3-(propylaminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1-sulfonamide
CID 106013521
3-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropan-2-yl)piperidine-1-sulfonamide
CID 106091198
N-[(1-pyridin-3-ylsulfonylpiperidin-3-yl)methyl]propan-1-amine
CID 63879976

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-3-(propylaminomethyl)piperidine-1-sulfonamide?
The IUPAC name of N-(2-methylbutan-2-yl)-3-(propylaminomethyl)piperidine-1-sulfonamide (CID 106031594) is N-(2-methylbutan-2-yl)-3-(propylaminomethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-3-(propylaminomethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-3-(propylaminomethyl)piperidine-1-sulfonamide is CCCNCC1CCCN(S(=O)(=O)NC(C)(C)CC)C1.
What is the InChIKey of N-(2-methylbutan-2-yl)-3-(propylaminomethyl)piperidine-1-sulfonamide?
The InChIKey is CVNYRIKAMVHUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O2S/c1-5-9-15-11-13-8-7-10-17(12-13)20(18,19)16-14(3,4)6-2/h13,15-16H,5-12H2,1-4H3.
What are the key properties of N-(2-methylbutan-2-yl)-3-(propylaminomethyl)piperidine-1-sulfonamide?
N-(2-methylbutan-2-yl)-3-(propylaminomethyl)piperidine-1-sulfonamide has a molecular weight of 305.49 g/mol, XLogP of 1.72, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-3-(propylaminomethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106031594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).