4-[(1S)-1-[tert-butylsulfinyl(2-hydroxypropyl)amino]ethyl]piperidine-1-carboxylic acid

C15H30N2O4S — CID 166746005

IUPAC4-[(1S)-1-[tert-butylsulfinyl(2-hydroxypropyl)amino]ethyl]piperidine-1-carboxylic acid
SMILESCC(O)CN([C@@H](C)C1CCN(C(=O)O)CC1)S(=O)C(C)(C)C
InChIInChI=1S/C15H30N2O4S/c1-11(18)10-17(22(21)15(3,4)5)12(2)13-6-8-16(9-7-13)14(19)20/h11-13,18H,6-10H2,1-5H3,(H,19,20)/t11?,12-,22?/m0/s1
InChIKeyAVZHNYXDJUQRBE-MIXLTESUSA-N
MW334.48 g/mol
LogP1.91
Rot. Bonds5

About 4-[(1S)-1-[tert-butylsulfinyl(2-hydroxypropyl)amino]ethyl]piperidine-1-carboxylic acid

4-[(1S)-1-[tert-butylsulfinyl(2-hydroxypropyl)amino]ethyl]piperidine-1-carboxylic acid (PubChem CID 166746005) has the molecular formula C15H30N2O4S and a molecular weight of 334.48 g/mol. Its IUPAC name is 4-[(1S)-1-[tert-butylsulfinyl(2-hydroxypropyl)amino]ethyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(1S)-1-[tert-butylsulfinyl(2-hydroxypropyl)amino]ethyl]piperidine-1-carboxylic acid
PubChem CID166746005
Molecular FormulaC15H30N2O4S
Molecular Weight334.48 g/mol
Exact Mass334.19
IUPAC Name4-[(1S)-1-[tert-butylsulfinyl(2-hydroxypropyl)amino]ethyl]piperidine-1-carboxylic acid
SMILESCC(O)CN([C@@H](C)C1CCN(C(=O)O)CC1)S(=O)C(C)(C)C
InChIInChI=1S/C15H30N2O4S/c1-11(18)10-17(22(21)15(3,4)5)12(2)13-6-8-16(9-7-13)14(19)20/h11-13,18H,6-10H2,1-5H3,(H,19,20)/t11?,12-,22?/m0/s1
InChIKeyAVZHNYXDJUQRBE-MIXLTESUSA-N
XLogP1.91
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.48
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(1S)-1-[tert-butylsulfinyl(2-hydroxypropyl)amino]ethyl]piperidine-1-carboxylic acid with MolForge

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Related Compounds

tert-butyl 4-[(1S)-1-[tert-butylsulfinyl(prop-2-enyl)amino]ethyl]piperidine-1-carboxylate
CID 166745842
4-(1-bromoethyl)piperidine-1-carboxylic acid
CID 22936412
4-[(1S)-1-aminoethyl]piperidine-1-carboxylic acid
CID 137372946
4-[methyl(propan-2-yl)amino]piperidine-1-carboxylic acid
CID 22047993
1-[4-(1-hydroxypropyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 112537597
4-[1-[ethoxy(methyl)amino]-1-oxopropan-2-yl]piperidine-1-carboxylic acid
CID 87487604
2-[tert-butyl-(4-propan-2-ylpiperidine-1-carbonyl)amino]acetic acid
CID 103500285
4-[(1R)-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]piperazine-1-carboxylic acid
CID 170432681
4-[2-(ethylamino)-1-hydroxyethyl]piperidine-1-carboxylic acid
CID 129053752
4-[(1R)-1-piperazin-1-ylethyl]piperidine-1-carboxylic acid
CID 170432830
4-[(tert-butylsulfinylamino)-phenylmethyl]piperidine-1-carboxylic acid
CID 66689672
4-(2-aminopropyl)piperidine-1-carboxylic acid;hydrochloride
CID 137373042

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-[tert-butylsulfinyl(2-hydroxypropyl)amino]ethyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(1S)-1-[tert-butylsulfinyl(2-hydroxypropyl)amino]ethyl]piperidine-1-carboxylic acid (CID 166746005) is 4-[(1S)-1-[tert-butylsulfinyl(2-hydroxypropyl)amino]ethyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(1S)-1-[tert-butylsulfinyl(2-hydroxypropyl)amino]ethyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(1S)-1-[tert-butylsulfinyl(2-hydroxypropyl)amino]ethyl]piperidine-1-carboxylic acid is CC(O)CN([C@@H](C)C1CCN(C(=O)O)CC1)S(=O)C(C)(C)C.
What is the InChIKey of 4-[(1S)-1-[tert-butylsulfinyl(2-hydroxypropyl)amino]ethyl]piperidine-1-carboxylic acid?
The InChIKey is AVZHNYXDJUQRBE-MIXLTESUSA-N. The full InChI is InChI=1S/C15H30N2O4S/c1-11(18)10-17(22(21)15(3,4)5)12(2)13-6-8-16(9-7-13)14(19)20/h11-13,18H,6-10H2,1-5H3,(H,19,20)/t11?,12-,22?/m0/s1.
What are the key properties of 4-[(1S)-1-[tert-butylsulfinyl(2-hydroxypropyl)amino]ethyl]piperidine-1-carboxylic acid?
4-[(1S)-1-[tert-butylsulfinyl(2-hydroxypropyl)amino]ethyl]piperidine-1-carboxylic acid has a molecular weight of 334.48 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-[tert-butylsulfinyl(2-hydroxypropyl)amino]ethyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 166746005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).