1-tert-butyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-amine

C11H24N2OS — CID 58311619

IUPAC1-tert-butyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-amine
SMILESC=S(C)(=O)NC1CCN(C(C)(C)C)CC1
InChIInChI=1S/C11H24N2OS/c1-11(2,3)13-8-6-10(7-9-13)12-15(4,5)14/h10H,4,6-9H2,1-3,5H3,(H,12,14)
InChIKeyBDFCCGWOTAFKBB-UHFFFAOYSA-N
MW232.39 g/mol
LogP1.10
Rot. Bonds2

About 1-tert-butyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-amine

1-tert-butyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-amine (PubChem CID 58311619) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is 1-tert-butyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-amine.

Molecular Properties

Compound Name1-tert-butyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-amine
PubChem CID58311619
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC Name1-tert-butyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-amine
SMILESC=S(C)(=O)NC1CCN(C(C)(C)C)CC1
InChIInChI=1S/C11H24N2OS/c1-11(2,3)13-8-6-10(7-9-13)12-15(4,5)14/h10H,4,6-9H2,1-3,5H3,(H,12,14)
InChIKeyBDFCCGWOTAFKBB-UHFFFAOYSA-N
XLogP1.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(1-tert-butylpiperidin-4-yl)benzenesulfonamide
CID 61125705
(1-tert-butylpiperidin-4-yl)hydrazine
CID 21097250
methyl 4-[(1-tert-butylpiperidin-4-yl)sulfamoyl]butanoate
CID 61460468
2-[(1-tert-butylpiperidin-4-yl)amino]ethanesulfonamide
CID 114384873
5-amino-N-(1-tert-butylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide
CID 61125890
1-tert-butyl-N-cyclooctylpiperidin-4-amine
CID 54866557
N-but-3-en-2-yl-1-tert-butylpiperidin-4-amine
CID 115727975
2-amino-N-(1-tert-butylpiperidin-4-yl)-2-methylpropanamide
CID 61264639
(2R)-1-[(1-tert-butylpiperidin-4-yl)amino]propan-2-ol
CID 103906834
1-tert-butyl-N-(1-iodo-2-methylpropan-2-yl)piperidin-4-amine
CID 134415057
1-tert-butyl-N-(1,1-difluoropropan-2-yl)piperidin-4-amine
CID 102869208
1-tert-butyl-4-(1-tert-butylpyrrolidin-3-yl)sulfonylpiperazine
CID 153452685

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-amine?
The IUPAC name of 1-tert-butyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-amine (CID 58311619) is 1-tert-butyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-amine.
What is the SMILES notation for 1-tert-butyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-amine?
The canonical SMILES for 1-tert-butyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-amine is C=S(C)(=O)NC1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-amine?
The InChIKey is BDFCCGWOTAFKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-11(2,3)13-8-6-10(7-9-13)12-15(4,5)14/h10H,4,6-9H2,1-3,5H3,(H,12,14).
What are the key properties of 1-tert-butyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-amine?
1-tert-butyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-amine has a molecular weight of 232.39 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-amine is sourced from PubChem (CID 58311619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).