(2R)-2-amino-3-methyl-3-methylsulfanyl-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide

C19H31N3OS — CID 157018144

IUPAC(2R)-2-amino-3-methyl-3-methylsulfanyl-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
SMILESCSC(C)(C)[C@H](N)C(=O)NC1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C19H31N3OS/c1-19(2,24-3)17(20)18(23)21-16-10-13-22(14-11-16)12-9-15-7-5-4-6-8-15/h4-8,16-17H,9-14,20H2,1-3H3,(H,21,23)/t17-/m1/s1
InChIKeySRZNTWCYLQWQLE-QGZVFWFLSA-N
MW349.54 g/mol
LogP2.28
Rot. Bonds7

About (2R)-2-amino-3-methyl-3-methylsulfanyl-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide

(2R)-2-amino-3-methyl-3-methylsulfanyl-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide (PubChem CID 157018144) has the molecular formula C19H31N3OS and a molecular weight of 349.54 g/mol. Its IUPAC name is (2R)-2-amino-3-methyl-3-methylsulfanyl-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-methyl-3-methylsulfanyl-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
PubChem CID157018144
Molecular FormulaC19H31N3OS
Molecular Weight349.54 g/mol
Exact Mass349.22
IUPAC Name(2R)-2-amino-3-methyl-3-methylsulfanyl-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
SMILESCSC(C)(C)[C@H](N)C(=O)NC1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C19H31N3OS/c1-19(2,24-3)17(20)18(23)21-16-10-13-22(14-11-16)12-9-15-7-5-4-6-8-15/h4-8,16-17H,9-14,20H2,1-3H3,(H,21,23)/t17-/m1/s1
InChIKeySRZNTWCYLQWQLE-QGZVFWFLSA-N
XLogP2.28
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.54
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide;dihydrochloride
CID 119844586
(2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)-3,3-dimethylbutanamide;dihydrochloride
CID 119831710
oxalic acid;bis(N-[1-(2-phenylethyl)piperidin-4-yl]propanamide)
CID 146470915
oxalic acid;N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 118877840
2-methyl-1-[[1-(2-phenylethyl)piperidin-4-yl]amino]propan-2-ol
CID 63239768
(2R)-2-amino-N-[1-(4-fluorophenyl)piperidin-4-yl]-3-methyl-3-methylsulfanylbutanamide
CID 162628209
(2S)-2-amino-N-(1-methylpiperidin-4-yl)-4-phenylbutanamide
CID 104983890
2-[[1-(2-phenylethyl)piperidin-4-yl]amino]propanoic acid
CID 61499758
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
N-[1-(2-phenylethyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
CID 10834269
N,N-dimethyl-2-[[1-(2-phenylethyl)piperidin-4-yl]amino]acetamide
CID 60796882
2-(cyclopropylmethylamino)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide;dihydrochloride
CID 119844580

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-methyl-3-methylsulfanyl-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide?
The IUPAC name of (2R)-2-amino-3-methyl-3-methylsulfanyl-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide (CID 157018144) is (2R)-2-amino-3-methyl-3-methylsulfanyl-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide.
What is the SMILES notation for (2R)-2-amino-3-methyl-3-methylsulfanyl-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide?
The canonical SMILES for (2R)-2-amino-3-methyl-3-methylsulfanyl-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide is CSC(C)(C)[C@H](N)C(=O)NC1CCN(CCc2ccccc2)CC1.
What is the InChIKey of (2R)-2-amino-3-methyl-3-methylsulfanyl-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide?
The InChIKey is SRZNTWCYLQWQLE-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H31N3OS/c1-19(2,24-3)17(20)18(23)21-16-10-13-22(14-11-16)12-9-15-7-5-4-6-8-15/h4-8,16-17H,9-14,20H2,1-3H3,(H,21,23)/t17-/m1/s1.
What are the key properties of (2R)-2-amino-3-methyl-3-methylsulfanyl-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide?
(2R)-2-amino-3-methyl-3-methylsulfanyl-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide has a molecular weight of 349.54 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-methyl-3-methylsulfanyl-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide is sourced from PubChem (CID 157018144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).