3-(propylaminomethyl)-N-(thiolan-2-ylmethyl)piperidine-1-sulfonamide

C14H29N3O2S2 — CID 106071762

IUPAC3-(propylaminomethyl)-N-(thiolan-2-ylmethyl)piperidine-1-sulfonamide
SMILESCCCNCC1CCCN(S(=O)(=O)NCC2CCCS2)C1
InChIInChI=1S/C14H29N3O2S2/c1-2-7-15-10-13-5-3-8-17(12-13)21(18,19)16-11-14-6-4-9-20-14/h13-16H,2-12H2,1H3
InChIKeyDMUAOHUDJTWWKB-UHFFFAOYSA-N
MW335.54 g/mol
LogP1.43
Rot. Bonds8

About 3-(propylaminomethyl)-N-(thiolan-2-ylmethyl)piperidine-1-sulfonamide

3-(propylaminomethyl)-N-(thiolan-2-ylmethyl)piperidine-1-sulfonamide (PubChem CID 106071762) has the molecular formula C14H29N3O2S2 and a molecular weight of 335.54 g/mol. Its IUPAC name is 3-(propylaminomethyl)-N-(thiolan-2-ylmethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-(propylaminomethyl)-N-(thiolan-2-ylmethyl)piperidine-1-sulfonamide
PubChem CID106071762
Molecular FormulaC14H29N3O2S2
Molecular Weight335.54 g/mol
Exact Mass335.17
IUPAC Name3-(propylaminomethyl)-N-(thiolan-2-ylmethyl)piperidine-1-sulfonamide
SMILESCCCNCC1CCCN(S(=O)(=O)NCC2CCCS2)C1
InChIInChI=1S/C14H29N3O2S2/c1-2-7-15-10-13-5-3-8-17(12-13)21(18,19)16-11-14-6-4-9-20-14/h13-16H,2-12H2,1H3
InChIKeyDMUAOHUDJTWWKB-UHFFFAOYSA-N
XLogP1.43
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.54
LogP ≤ 51.43
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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Related Compounds

3-(ethylaminomethyl)-N-(thian-2-ylmethyl)piperidine-1-sulfonamide
CID 106072219
3-(aminomethyl)-N-(thiolan-2-ylmethyl)piperidine-1-sulfonamide
CID 114141669
N-(2-methylsulfanylethyl)-3-(propylaminomethyl)piperidine-1-sulfonamide
CID 106063829
N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-1-amine
CID 63878581
N-(2-methylbutan-2-yl)-3-(propylaminomethyl)piperidine-1-sulfonamide
CID 106031594
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-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1-sulfonamide
CID 106013521
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-(methylaminomethyl)-N-[(4-methylcyclohexyl)methyl]piperidine-1-sulfonamide
CID 106062375

Frequently Asked Questions

What is the IUPAC name of 3-(propylaminomethyl)-N-(thiolan-2-ylmethyl)piperidine-1-sulfonamide?
The IUPAC name of 3-(propylaminomethyl)-N-(thiolan-2-ylmethyl)piperidine-1-sulfonamide (CID 106071762) is 3-(propylaminomethyl)-N-(thiolan-2-ylmethyl)piperidine-1-sulfonamide.
What is the SMILES notation for 3-(propylaminomethyl)-N-(thiolan-2-ylmethyl)piperidine-1-sulfonamide?
The canonical SMILES for 3-(propylaminomethyl)-N-(thiolan-2-ylmethyl)piperidine-1-sulfonamide is CCCNCC1CCCN(S(=O)(=O)NCC2CCCS2)C1.
What is the InChIKey of 3-(propylaminomethyl)-N-(thiolan-2-ylmethyl)piperidine-1-sulfonamide?
The InChIKey is DMUAOHUDJTWWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2S2/c1-2-7-15-10-13-5-3-8-17(12-13)21(18,19)16-11-14-6-4-9-20-14/h13-16H,2-12H2,1H3.
What are the key properties of 3-(propylaminomethyl)-N-(thiolan-2-ylmethyl)piperidine-1-sulfonamide?
3-(propylaminomethyl)-N-(thiolan-2-ylmethyl)piperidine-1-sulfonamide has a molecular weight of 335.54 g/mol, XLogP of 1.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propylaminomethyl)-N-(thiolan-2-ylmethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106071762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).