(2R)-2-amino-N-piperidin-1-yl-3-sulfanylpropanamide

C8H17N3OS — CID 155192910

IUPAC(2R)-2-amino-N-piperidin-1-yl-3-sulfanylpropanamide
SMILESN[C@@H](CS)C(=O)NN1CCCCC1
InChIInChI=1S/C8H17N3OS/c9-7(6-13)8(12)10-11-4-2-1-3-5-11/h7,13H,1-6,9H2,(H,10,12)/t7-/m0/s1
InChIKeyBFWWGUFJIOIWBK-ZETCQYMHSA-N
MW203.31 g/mol
LogP-0.24
Rot. Bonds3

About (2R)-2-amino-N-piperidin-1-yl-3-sulfanylpropanamide

(2R)-2-amino-N-piperidin-1-yl-3-sulfanylpropanamide (PubChem CID 155192910) has the molecular formula C8H17N3OS and a molecular weight of 203.31 g/mol. Its IUPAC name is (2R)-2-amino-N-piperidin-1-yl-3-sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-piperidin-1-yl-3-sulfanylpropanamide
PubChem CID155192910
Molecular FormulaC8H17N3OS
Molecular Weight203.31 g/mol
Exact Mass203.11
IUPAC Name(2R)-2-amino-N-piperidin-1-yl-3-sulfanylpropanamide
SMILESN[C@@H](CS)C(=O)NN1CCCCC1
InChIInChI=1S/C8H17N3OS/c9-7(6-13)8(12)10-11-4-2-1-3-5-11/h7,13H,1-6,9H2,(H,10,12)/t7-/m0/s1
InChIKeyBFWWGUFJIOIWBK-ZETCQYMHSA-N
XLogP-0.24
TPSA58.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-amino-5-oxo-5-(piperidin-1-ylamino)pentanoic acid
CID 83021302
(2R)-2-amino-3-ethylsulfanyl-N-pyrrolidin-1-ylpropanamide;hydrochloride
CID 70514522
(2S)-2-amino-4-phenyl-N-piperidin-1-ylbutanamide
CID 104984736
(2S)-2-amino-3-(4-hydroxyphenyl)-N-piperidin-1-ylpropanamide
CID 83021846
3-amino-2-methyl-N-piperidin-1-ylpropanamide
CID 83014321
2,2-dichloro-N-piperidin-1-ylacetamide
CID 17164475
3-methyl-N-piperidin-1-yl-2-sulfanylbutanamide
CID 107033871
5-amino-2-methyl-N-piperidin-1-ylpentanamide
CID 104685518
2-(hydroxymethyl)-3,3-dimethyl-N-piperidin-1-ylbutanamide
CID 58171914
2-bromo-3-methyl-N-piperidin-1-ylbutanamide
CID 83012008
2-amino-N-(4-methylpiperazin-1-yl)butanediamide
CID 83015245
3-cyclohexyl-2-hydroxy-N-piperidin-1-ylpropanamide
CID 22014019

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-piperidin-1-yl-3-sulfanylpropanamide?
The IUPAC name of (2R)-2-amino-N-piperidin-1-yl-3-sulfanylpropanamide (CID 155192910) is (2R)-2-amino-N-piperidin-1-yl-3-sulfanylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-piperidin-1-yl-3-sulfanylpropanamide?
The canonical SMILES for (2R)-2-amino-N-piperidin-1-yl-3-sulfanylpropanamide is N[C@@H](CS)C(=O)NN1CCCCC1.
What is the InChIKey of (2R)-2-amino-N-piperidin-1-yl-3-sulfanylpropanamide?
The InChIKey is BFWWGUFJIOIWBK-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H17N3OS/c9-7(6-13)8(12)10-11-4-2-1-3-5-11/h7,13H,1-6,9H2,(H,10,12)/t7-/m0/s1.
What are the key properties of (2R)-2-amino-N-piperidin-1-yl-3-sulfanylpropanamide?
(2R)-2-amino-N-piperidin-1-yl-3-sulfanylpropanamide has a molecular weight of 203.31 g/mol, XLogP of -0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-piperidin-1-yl-3-sulfanylpropanamide is sourced from PubChem (CID 155192910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).