N-[(2S)-1-hydroxypropan-2-yl]thiophene-3-carboxamide;sulfane

C8H13NO2S2 — CID 160993969

IUPACN-[(2S)-1-hydroxypropan-2-yl]thiophene-3-carboxamide;sulfane
SMILESC[C@@H](CO)NC(=O)c1ccsc1.S
InChIInChI=1S/C8H11NO2S.H2S/c1-6(4-10)9-8(11)7-2-3-12-5-7;/h2-3,5-6,10H,4H2,1H3,(H,9,11);1H2/t6-;/m0./s1
InChIKeyTUZPQKKNYJWQOA-RGMNGODLSA-N
MW219.33 g/mol
LogP0.97
Rot. Bonds3

About N-[(2S)-1-hydroxypropan-2-yl]thiophene-3-carboxamide;sulfane

N-[(2S)-1-hydroxypropan-2-yl]thiophene-3-carboxamide;sulfane (PubChem CID 160993969) has the molecular formula C8H13NO2S2 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[(2S)-1-hydroxypropan-2-yl]thiophene-3-carboxamide;sulfane.

Molecular Properties

Compound NameN-[(2S)-1-hydroxypropan-2-yl]thiophene-3-carboxamide;sulfane
PubChem CID160993969
Molecular FormulaC8H13NO2S2
Molecular Weight219.33 g/mol
Exact Mass219.04
IUPAC NameN-[(2S)-1-hydroxypropan-2-yl]thiophene-3-carboxamide;sulfane
SMILESC[C@@H](CO)NC(=O)c1ccsc1.S
InChIInChI=1S/C8H11NO2S.H2S/c1-6(4-10)9-8(11)7-2-3-12-5-7;/h2-3,5-6,10H,4H2,1H3,(H,9,11);1H2/t6-;/m0./s1
InChIKeyTUZPQKKNYJWQOA-RGMNGODLSA-N
XLogP0.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxypropan-2-yl]thiophene-3-carboxamide;sulfane?
The IUPAC name of N-[(2S)-1-hydroxypropan-2-yl]thiophene-3-carboxamide;sulfane (CID 160993969) is N-[(2S)-1-hydroxypropan-2-yl]thiophene-3-carboxamide;sulfane.
What is the SMILES notation for N-[(2S)-1-hydroxypropan-2-yl]thiophene-3-carboxamide;sulfane?
The canonical SMILES for N-[(2S)-1-hydroxypropan-2-yl]thiophene-3-carboxamide;sulfane is C[C@@H](CO)NC(=O)c1ccsc1.S.
What is the InChIKey of N-[(2S)-1-hydroxypropan-2-yl]thiophene-3-carboxamide;sulfane?
The InChIKey is TUZPQKKNYJWQOA-RGMNGODLSA-N. The full InChI is InChI=1S/C8H11NO2S.H2S/c1-6(4-10)9-8(11)7-2-3-12-5-7;/h2-3,5-6,10H,4H2,1H3,(H,9,11);1H2/t6-;/m0./s1.
What are the key properties of N-[(2S)-1-hydroxypropan-2-yl]thiophene-3-carboxamide;sulfane?
N-[(2S)-1-hydroxypropan-2-yl]thiophene-3-carboxamide;sulfane has a molecular weight of 219.33 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxypropan-2-yl]thiophene-3-carboxamide;sulfane is sourced from PubChem (CID 160993969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).