N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,4-dimethylpiperidine-1-carboxamide

C12H23N3OS — CID 79159659

IUPACN-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,4-dimethylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)N(C)CC(C)C(N)=S)CC1
InChIInChI=1S/C12H23N3OS/c1-9-4-6-15(7-5-9)12(16)14(3)8-10(2)11(13)17/h9-10H,4-8H2,1-3H3,(H2,13,17)
InChIKeyLBIAJZRCRZBNBD-UHFFFAOYSA-N
MW257.40 g/mol
LogP1.69
Rot. Bonds3

About N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,4-dimethylpiperidine-1-carboxamide

N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,4-dimethylpiperidine-1-carboxamide (PubChem CID 79159659) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,4-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,4-dimethylpiperidine-1-carboxamide
PubChem CID79159659
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC NameN-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,4-dimethylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)N(C)CC(C)C(N)=S)CC1
InChIInChI=1S/C12H23N3OS/c1-9-4-6-15(7-5-9)12(16)14(3)8-10(2)11(13)17/h9-10H,4-8H2,1-3H3,(H2,13,17)
InChIKeyLBIAJZRCRZBNBD-UHFFFAOYSA-N
XLogP1.69
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 51.69
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

2-methyl-3-[methyl-(4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 55007166
N-(3-amino-3-imino-2-methylpropyl)-N,4-dimethylpiperidine-1-carboxamide
CID 79163331
N-(2-amino-2-sulfanylideneethyl)-4-methyl-N-propan-2-ylpiperidine-1-carboxamide
CID 79160527
4-carbamothioyl-N-ethyl-N-methylpiperidine-1-carboxamide
CID 79159759
N-(2-amino-2-iminoethyl)-N,4-dimethylpiperidine-1-carboxamide
CID 79163420
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,2-dimethylcyclopentane-1-carboxamide
CID 107178688
N,4-dimethyl-N-pentylpiperidine-1-carboxamide
CID 116654214
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-3-methylpiperidine-1-carboxamide
CID 79159462
methyl 2-methyl-3-[methyl-(3-methylpiperidine-1-carbonyl)amino]propanoate
CID 79162858
3-[(4-tert-butylpiperidine-1-carbonyl)-methylamino]-2-methylpropanoic acid
CID 62084014
4-carbamothioyl-N,N-dimethylpiperidine-1-carboxamide
CID 79154300
3-[(4-cyclopropylpiperazine-1-carbonyl)-methylamino]-2-methylpropanoic acid
CID 55007622

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,4-dimethylpiperidine-1-carboxamide?
The IUPAC name of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,4-dimethylpiperidine-1-carboxamide (CID 79159659) is N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,4-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,4-dimethylpiperidine-1-carboxamide?
The canonical SMILES for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,4-dimethylpiperidine-1-carboxamide is CC1CCN(C(=O)N(C)CC(C)C(N)=S)CC1.
What is the InChIKey of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,4-dimethylpiperidine-1-carboxamide?
The InChIKey is LBIAJZRCRZBNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-9-4-6-15(7-5-9)12(16)14(3)8-10(2)11(13)17/h9-10H,4-8H2,1-3H3,(H2,13,17).
What are the key properties of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,4-dimethylpiperidine-1-carboxamide?
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,4-dimethylpiperidine-1-carboxamide has a molecular weight of 257.40 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,4-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 79159659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).