(2R)-2-amino-N-ethyl-N-[(3S)-thiolan-3-yl]propanamide

C9H18N2OS — CID 129496555

IUPAC(2R)-2-amino-N-ethyl-N-[(3S)-thiolan-3-yl]propanamide
SMILESCCN(C(=O)[C@@H](C)N)[C@H]1CCSC1
InChIInChI=1S/C9H18N2OS/c1-3-11(9(12)7(2)10)8-4-5-13-6-8/h7-8H,3-6,10H2,1-2H3/t7-,8+/m1/s1
InChIKeyDUHWOOHXMPBBFD-SFYZADRCSA-N
MW202.32 g/mol
LogP0.69
Rot. Bonds3

About (2R)-2-amino-N-ethyl-N-[(3S)-thiolan-3-yl]propanamide

(2R)-2-amino-N-ethyl-N-[(3S)-thiolan-3-yl]propanamide (PubChem CID 129496555) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is (2R)-2-amino-N-ethyl-N-[(3S)-thiolan-3-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-ethyl-N-[(3S)-thiolan-3-yl]propanamide
PubChem CID129496555
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name(2R)-2-amino-N-ethyl-N-[(3S)-thiolan-3-yl]propanamide
SMILESCCN(C(=O)[C@@H](C)N)[C@H]1CCSC1
InChIInChI=1S/C9H18N2OS/c1-3-11(9(12)7(2)10)8-4-5-13-6-8/h7-8H,3-6,10H2,1-2H3/t7-,8+/m1/s1
InChIKeyDUHWOOHXMPBBFD-SFYZADRCSA-N
XLogP0.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-ethyl-N-[(3S)-thiolan-3-yl]propanamide?
The IUPAC name of (2R)-2-amino-N-ethyl-N-[(3S)-thiolan-3-yl]propanamide (CID 129496555) is (2R)-2-amino-N-ethyl-N-[(3S)-thiolan-3-yl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-ethyl-N-[(3S)-thiolan-3-yl]propanamide?
The canonical SMILES for (2R)-2-amino-N-ethyl-N-[(3S)-thiolan-3-yl]propanamide is CCN(C(=O)[C@@H](C)N)[C@H]1CCSC1.
What is the InChIKey of (2R)-2-amino-N-ethyl-N-[(3S)-thiolan-3-yl]propanamide?
The InChIKey is DUHWOOHXMPBBFD-SFYZADRCSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-3-11(9(12)7(2)10)8-4-5-13-6-8/h7-8H,3-6,10H2,1-2H3/t7-,8+/m1/s1.
What are the key properties of (2R)-2-amino-N-ethyl-N-[(3S)-thiolan-3-yl]propanamide?
(2R)-2-amino-N-ethyl-N-[(3S)-thiolan-3-yl]propanamide has a molecular weight of 202.32 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-ethyl-N-[(3S)-thiolan-3-yl]propanamide is sourced from PubChem (CID 129496555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).