2-amino-2-methyl-N-[3-methyl-4-(2-sulfanylidenepiperidin-1-yl)phenyl]propanamide

C16H23N3OS — CID 87846272

IUPAC2-amino-2-methyl-N-[3-methyl-4-(2-sulfanylidenepiperidin-1-yl)phenyl]propanamide
SMILESCc1cc(NC(=O)C(C)(C)N)ccc1N1CCCCC1=S
InChIInChI=1S/C16H23N3OS/c1-11-10-12(18-15(20)16(2,3)17)7-8-13(11)19-9-5-4-6-14(19)21/h7-8,10H,4-6,9,17H2,1-3H3,(H,18,20)
InChIKeyCULDUTOFMZHJKG-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.99
Rot. Bonds3

About 2-amino-2-methyl-N-[3-methyl-4-(2-sulfanylidenepiperidin-1-yl)phenyl]propanamide

2-amino-2-methyl-N-[3-methyl-4-(2-sulfanylidenepiperidin-1-yl)phenyl]propanamide (PubChem CID 87846272) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[3-methyl-4-(2-sulfanylidenepiperidin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-[3-methyl-4-(2-sulfanylidenepiperidin-1-yl)phenyl]propanamide
PubChem CID87846272
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name2-amino-2-methyl-N-[3-methyl-4-(2-sulfanylidenepiperidin-1-yl)phenyl]propanamide
SMILESCc1cc(NC(=O)C(C)(C)N)ccc1N1CCCCC1=S
InChIInChI=1S/C16H23N3OS/c1-11-10-12(18-15(20)16(2,3)17)7-8-13(11)19-9-5-4-6-14(19)21/h7-8,10H,4-6,9,17H2,1-3H3,(H,18,20)
InChIKeyCULDUTOFMZHJKG-UHFFFAOYSA-N
XLogP2.99
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-methyl-N-[3-methyl-4-(2-methyldiazinan-1-yl)phenyl]propanamide
CID 69491556
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-amino-2-methylpropanamide;hydrochloride
CID 119312863
[2-[3-methyl-4-(2-oxopiperidin-1-yl)anilino]-2-oxoethyl] 2,2-dimethylpropanoate
CID 7687437
N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]cyclopropanecarboxamide
CID 7687364
2,2-dimethyl-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 7687770
N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]adamantane-1-carboxamide
CID 7687446
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 18204867
5-[(2-amino-2-methylpropanoyl)amino]-2-methylbenzoic acid
CID 55245402
(2R)-2-[(4-chlorophenyl)carbamoylamino]-N-[3-methyl-4-(2-sulfanylidenepyrrolidin-1-yl)phenyl]-2-phenylacetamide
CID 12992876
2-(4-chlorophenoxy)-2-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 17494787
[2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]-2-oxoethyl] 2,2-dimethylpropanoate
CID 7686604
4-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoic acid
CID 45393767

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[3-methyl-4-(2-sulfanylidenepiperidin-1-yl)phenyl]propanamide?
The IUPAC name of 2-amino-2-methyl-N-[3-methyl-4-(2-sulfanylidenepiperidin-1-yl)phenyl]propanamide (CID 87846272) is 2-amino-2-methyl-N-[3-methyl-4-(2-sulfanylidenepiperidin-1-yl)phenyl]propanamide.
What is the SMILES notation for 2-amino-2-methyl-N-[3-methyl-4-(2-sulfanylidenepiperidin-1-yl)phenyl]propanamide?
The canonical SMILES for 2-amino-2-methyl-N-[3-methyl-4-(2-sulfanylidenepiperidin-1-yl)phenyl]propanamide is Cc1cc(NC(=O)C(C)(C)N)ccc1N1CCCCC1=S.
What is the InChIKey of 2-amino-2-methyl-N-[3-methyl-4-(2-sulfanylidenepiperidin-1-yl)phenyl]propanamide?
The InChIKey is CULDUTOFMZHJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-11-10-12(18-15(20)16(2,3)17)7-8-13(11)19-9-5-4-6-14(19)21/h7-8,10H,4-6,9,17H2,1-3H3,(H,18,20).
What are the key properties of 2-amino-2-methyl-N-[3-methyl-4-(2-sulfanylidenepiperidin-1-yl)phenyl]propanamide?
2-amino-2-methyl-N-[3-methyl-4-(2-sulfanylidenepiperidin-1-yl)phenyl]propanamide has a molecular weight of 305.45 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[3-methyl-4-(2-sulfanylidenepiperidin-1-yl)phenyl]propanamide is sourced from PubChem (CID 87846272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).