3-methyl-N-[2-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]piperidine-1-sulfonamide

C14H30N4O4S2 — CID 46595803

IUPAC3-methyl-N-[2-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]piperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)NCCNS(=O)(=O)N2CCCC(C)C2)C1
InChIInChI=1S/C14H30N4O4S2/c1-13-5-3-9-17(11-13)23(19,20)15-7-8-16-24(21,22)18-10-4-6-14(2)12-18/h13-16H,3-12H2,1-2H3
InChIKeyYYZSBGUORDEOJV-UHFFFAOYSA-N
MW382.55 g/mol
LogP0.12
Rot. Bonds7

About 3-methyl-N-[2-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]piperidine-1-sulfonamide

3-methyl-N-[2-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]piperidine-1-sulfonamide (PubChem CID 46595803) has the molecular formula C14H30N4O4S2 and a molecular weight of 382.55 g/mol. Its IUPAC name is 3-methyl-N-[2-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-[2-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]piperidine-1-sulfonamide
PubChem CID46595803
Molecular FormulaC14H30N4O4S2
Molecular Weight382.55 g/mol
Exact Mass382.17
IUPAC Name3-methyl-N-[2-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]piperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)NCCNS(=O)(=O)N2CCCC(C)C2)C1
InChIInChI=1S/C14H30N4O4S2/c1-13-5-3-9-17(11-13)23(19,20)15-7-8-16-24(21,22)18-10-4-6-14(2)12-18/h13-16H,3-12H2,1-2H3
InChIKeyYYZSBGUORDEOJV-UHFFFAOYSA-N
XLogP0.12
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 50.12
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

N-[2-(cycloheptylamino)ethyl]-3-methylpiperidine-1-sulfonamide;hydrochloride
CID 119987333
(3S)-N-(2-methoxyethyl)-3-methylpiperidine-1-sulfonamide
CID 94063829
N-(6-bromohexyl)-3-methylpiperidine-1-sulfonamide
CID 107848876
(3S)-3-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 95141775
N-[2-(2-methoxyethoxy)ethyl]-3-methylpiperidine-1-sulfonamide
CID 86989323
methyl 2-[(3-methylpiperidin-1-yl)sulfonylamino]acetate
CID 43431574
(3R)-N-[2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-sulfonamide
CID 35296389
N-(3-chloro-2-methylpropyl)-3-methylpiperidine-1-sulfonamide
CID 65036779
N-[(3-chlorocyclobutyl)methyl]-3-methylpiperidine-1-sulfonamide
CID 66006965
(3S)-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-sulfonamide
CID 39992415
N-cyclopropyl-3-methylpiperidine-1-sulfonamide
CID 60746010
(3R)-N-[2-(4-methoxyphenyl)ethyl]-3-methylpiperidine-1-sulfonamide
CID 35431016

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]piperidine-1-sulfonamide?
The IUPAC name of 3-methyl-N-[2-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]piperidine-1-sulfonamide (CID 46595803) is 3-methyl-N-[2-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]piperidine-1-sulfonamide.
What is the SMILES notation for 3-methyl-N-[2-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]piperidine-1-sulfonamide?
The canonical SMILES for 3-methyl-N-[2-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]piperidine-1-sulfonamide is CC1CCCN(S(=O)(=O)NCCNS(=O)(=O)N2CCCC(C)C2)C1.
What is the InChIKey of 3-methyl-N-[2-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]piperidine-1-sulfonamide?
The InChIKey is YYZSBGUORDEOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O4S2/c1-13-5-3-9-17(11-13)23(19,20)15-7-8-16-24(21,22)18-10-4-6-14(2)12-18/h13-16H,3-12H2,1-2H3.
What are the key properties of 3-methyl-N-[2-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]piperidine-1-sulfonamide?
3-methyl-N-[2-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]piperidine-1-sulfonamide has a molecular weight of 382.55 g/mol, XLogP of 0.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]piperidine-1-sulfonamide is sourced from PubChem (CID 46595803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).