4-tert-butyl-N-[2-(cyclopropylamino)ethyl]piperidine-1-sulfonamide

C14H29N3O2S — CID 86784586

IUPAC4-tert-butyl-N-[2-(cyclopropylamino)ethyl]piperidine-1-sulfonamide
SMILESCC(C)(C)C1CCN(S(=O)(=O)NCCNC2CC2)CC1
InChIInChI=1S/C14H29N3O2S/c1-14(2,3)12-6-10-17(11-7-12)20(18,19)16-9-8-15-13-4-5-13/h12-13,15-16H,4-11H2,1-3H3
InChIKeyRMWIRBDHFMFDAV-UHFFFAOYSA-N
MW303.47 g/mol
LogP1.33
Rot. Bonds6

About 4-tert-butyl-N-[2-(cyclopropylamino)ethyl]piperidine-1-sulfonamide

4-tert-butyl-N-[2-(cyclopropylamino)ethyl]piperidine-1-sulfonamide (PubChem CID 86784586) has the molecular formula C14H29N3O2S and a molecular weight of 303.47 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-(cyclopropylamino)ethyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-(cyclopropylamino)ethyl]piperidine-1-sulfonamide
PubChem CID86784586
Molecular FormulaC14H29N3O2S
Molecular Weight303.47 g/mol
Exact Mass303.20
IUPAC Name4-tert-butyl-N-[2-(cyclopropylamino)ethyl]piperidine-1-sulfonamide
SMILESCC(C)(C)C1CCN(S(=O)(=O)NCCNC2CC2)CC1
InChIInChI=1S/C14H29N3O2S/c1-14(2,3)12-6-10-17(11-7-12)20(18,19)16-9-8-15-13-4-5-13/h12-13,15-16H,4-11H2,1-3H3
InChIKeyRMWIRBDHFMFDAV-UHFFFAOYSA-N
XLogP1.33
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclopropylamino)ethyl]-3,5-dimethylpiperidine-1-sulfonamide
CID 62665167
4-tert-butyl-N-[(2R)-2-methyl-3-(methylamino)propyl]piperidine-1-sulfonamide
CID 99782079
4-tert-butyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine
CID 54932163
4-tert-butylpiperidine-1-sulfonyl chloride
CID 62089689
4-tert-butyl-1-cyclopropylsulfonylpiperidine
CID 59732265
4-[(cyclopropylamino)methyl]-N-(2,2-dimethylbutyl)piperidine-1-sulfonamide
CID 103466066
4-(ethylamino)-N-(2-methoxyethyl)piperidine-1-sulfonamide
CID 114813693
4-[(cyclopropylamino)methyl]-N-(4-methylpentyl)piperidine-1-sulfonamide
CID 106017048
4-tert-butyl-N-(2-ethylsulfonylethyl)cycloheptan-1-amine
CID 103826274
4-[(cyclopropylamino)methyl]-N-[2-[ethyl(methyl)amino]ethyl]piperidine-1-sulfonamide
CID 106055915
N-(2-bromoethyl)-4-tert-butylcyclohexan-1-amine
CID 8024756
N-[2-(cycloheptylamino)ethyl]-3-methylpiperidine-1-sulfonamide;hydrochloride
CID 119987333

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-(cyclopropylamino)ethyl]piperidine-1-sulfonamide?
The IUPAC name of 4-tert-butyl-N-[2-(cyclopropylamino)ethyl]piperidine-1-sulfonamide (CID 86784586) is 4-tert-butyl-N-[2-(cyclopropylamino)ethyl]piperidine-1-sulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[2-(cyclopropylamino)ethyl]piperidine-1-sulfonamide?
The canonical SMILES for 4-tert-butyl-N-[2-(cyclopropylamino)ethyl]piperidine-1-sulfonamide is CC(C)(C)C1CCN(S(=O)(=O)NCCNC2CC2)CC1.
What is the InChIKey of 4-tert-butyl-N-[2-(cyclopropylamino)ethyl]piperidine-1-sulfonamide?
The InChIKey is RMWIRBDHFMFDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2S/c1-14(2,3)12-6-10-17(11-7-12)20(18,19)16-9-8-15-13-4-5-13/h12-13,15-16H,4-11H2,1-3H3.
What are the key properties of 4-tert-butyl-N-[2-(cyclopropylamino)ethyl]piperidine-1-sulfonamide?
4-tert-butyl-N-[2-(cyclopropylamino)ethyl]piperidine-1-sulfonamide has a molecular weight of 303.47 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-(cyclopropylamino)ethyl]piperidine-1-sulfonamide is sourced from PubChem (CID 86784586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).