3-(3-amino-2-methylpropyl)sulfanyl-2,2-dimethyl-N-phenylpropanamide

C15H24N2OS — CID 66225218

IUPAC3-(3-amino-2-methylpropyl)sulfanyl-2,2-dimethyl-N-phenylpropanamide
SMILESCC(CN)CSCC(C)(C)C(=O)Nc1ccccc1
InChIInChI=1S/C15H24N2OS/c1-12(9-16)10-19-11-15(2,3)14(18)17-13-7-5-4-6-8-13/h4-8,12H,9-11,16H2,1-3H3,(H,17,18)
InChIKeyPBPMYUAFJDPWIP-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.98
Rot. Bonds7

About 3-(3-amino-2-methylpropyl)sulfanyl-2,2-dimethyl-N-phenylpropanamide

3-(3-amino-2-methylpropyl)sulfanyl-2,2-dimethyl-N-phenylpropanamide (PubChem CID 66225218) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 3-(3-amino-2-methylpropyl)sulfanyl-2,2-dimethyl-N-phenylpropanamide.

Molecular Properties

Compound Name3-(3-amino-2-methylpropyl)sulfanyl-2,2-dimethyl-N-phenylpropanamide
PubChem CID66225218
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name3-(3-amino-2-methylpropyl)sulfanyl-2,2-dimethyl-N-phenylpropanamide
SMILESCC(CN)CSCC(C)(C)C(=O)Nc1ccccc1
InChIInChI=1S/C15H24N2OS/c1-12(9-16)10-19-11-15(2,3)14(18)17-13-7-5-4-6-8-13/h4-8,12H,9-11,16H2,1-3H3,(H,17,18)
InChIKeyPBPMYUAFJDPWIP-UHFFFAOYSA-N
XLogP2.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-aminopropylsulfanyl)-2,2-dimethyl-N-phenylpropanamide
CID 66218595
2-amino-2-methyl-N-phenylpropanamide;hydrochloride
CID 53409029
3-methoxy-2,2-dimethyl-N-phenylpropanamide
CID 70245295
1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-hexadecamethyl-1-N,3-N,5-N,7-N,9-N,11-N,13-N,15-N,17-N,19-N,21-N,23-N,25-N,27-N,29-N-pentadecakis-phenyltriacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecacarboxamide
CID 88975553
5-anilino-4,4-dimethyl-5-oxopentanoic acid
CID 826118
ethane;2,2,4-trimethyl-4-methylsulfanyl-N-phenylpentanamide
CID 145483758
(3-anilino-2,2-dimethyl-3-oxopropyl) N-(diaminomethylidene)carbamimidothioate
CID 83082439
(2R)-2-chloro-2-methyl-N-phenyl-3-phenylsulfanylpropanamide
CID 40544089
2,6-dimethyloctane;2,2-dimethyl-N-phenylbutanamide
CID 174845109
3-amino-2,2-dimethyl-N-(4-propan-2-ylsulfanylphenyl)propanamide
CID 115154519
3-(2-aminopropylsulfanyl)-N-phenylpropanamide
CID 66220664
1-(1-aminopropan-2-yl)-3-phenylurea
CID 23364218

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-2-methylpropyl)sulfanyl-2,2-dimethyl-N-phenylpropanamide?
The IUPAC name of 3-(3-amino-2-methylpropyl)sulfanyl-2,2-dimethyl-N-phenylpropanamide (CID 66225218) is 3-(3-amino-2-methylpropyl)sulfanyl-2,2-dimethyl-N-phenylpropanamide.
What is the SMILES notation for 3-(3-amino-2-methylpropyl)sulfanyl-2,2-dimethyl-N-phenylpropanamide?
The canonical SMILES for 3-(3-amino-2-methylpropyl)sulfanyl-2,2-dimethyl-N-phenylpropanamide is CC(CN)CSCC(C)(C)C(=O)Nc1ccccc1.
What is the InChIKey of 3-(3-amino-2-methylpropyl)sulfanyl-2,2-dimethyl-N-phenylpropanamide?
The InChIKey is PBPMYUAFJDPWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-12(9-16)10-19-11-15(2,3)14(18)17-13-7-5-4-6-8-13/h4-8,12H,9-11,16H2,1-3H3,(H,17,18).
What are the key properties of 3-(3-amino-2-methylpropyl)sulfanyl-2,2-dimethyl-N-phenylpropanamide?
3-(3-amino-2-methylpropyl)sulfanyl-2,2-dimethyl-N-phenylpropanamide has a molecular weight of 280.44 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-2-methylpropyl)sulfanyl-2,2-dimethyl-N-phenylpropanamide is sourced from PubChem (CID 66225218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).