2-amino-N-[(2R)-1-sulfanylpropan-2-yl]acetamide

C5H12N2OS — CID 18609635

IUPAC2-amino-N-[(2R)-1-sulfanylpropan-2-yl]acetamide
SMILESC[C@H](CS)NC(=O)CN
InChIInChI=1S/C5H12N2OS/c1-4(3-9)7-5(8)2-6/h4,9H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1
InChIKeySCIHLLGQWWVTCQ-SCSAIBSYSA-N
MW148.23 g/mol
LogP-0.62
Rot. Bonds3

About 2-amino-N-[(2R)-1-sulfanylpropan-2-yl]acetamide

2-amino-N-[(2R)-1-sulfanylpropan-2-yl]acetamide (PubChem CID 18609635) has the molecular formula C5H12N2OS and a molecular weight of 148.23 g/mol. Its IUPAC name is 2-amino-N-[(2R)-1-sulfanylpropan-2-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-[(2R)-1-sulfanylpropan-2-yl]acetamide
PubChem CID18609635
Molecular FormulaC5H12N2OS
Molecular Weight148.23 g/mol
Exact Mass148.07
IUPAC Name2-amino-N-[(2R)-1-sulfanylpropan-2-yl]acetamide
SMILESC[C@H](CS)NC(=O)CN
InChIInChI=1S/C5H12N2OS/c1-4(3-9)7-5(8)2-6/h4,9H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1
InChIKeySCIHLLGQWWVTCQ-SCSAIBSYSA-N
XLogP-0.62
TPSA55.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2R)-1-sulfanylpropan-2-yl]acetamide?
The IUPAC name of 2-amino-N-[(2R)-1-sulfanylpropan-2-yl]acetamide (CID 18609635) is 2-amino-N-[(2R)-1-sulfanylpropan-2-yl]acetamide.
What is the SMILES notation for 2-amino-N-[(2R)-1-sulfanylpropan-2-yl]acetamide?
The canonical SMILES for 2-amino-N-[(2R)-1-sulfanylpropan-2-yl]acetamide is C[C@H](CS)NC(=O)CN.
What is the InChIKey of 2-amino-N-[(2R)-1-sulfanylpropan-2-yl]acetamide?
The InChIKey is SCIHLLGQWWVTCQ-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H12N2OS/c1-4(3-9)7-5(8)2-6/h4,9H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1.
What are the key properties of 2-amino-N-[(2R)-1-sulfanylpropan-2-yl]acetamide?
2-amino-N-[(2R)-1-sulfanylpropan-2-yl]acetamide has a molecular weight of 148.23 g/mol, XLogP of -0.62, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2R)-1-sulfanylpropan-2-yl]acetamide is sourced from PubChem (CID 18609635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).