(2S)-N,N-di(propan-2-yl)-2-sulfanylpropanamide

C9H19NOS — CID 14857884

IUPAC(2S)-N,N-di(propan-2-yl)-2-sulfanylpropanamide
SMILESCC(C)N(C(=O)[C@H](C)S)C(C)C
InChIInChI=1S/C9H19NOS/c1-6(2)10(7(3)4)9(11)8(5)12/h6-8,12H,1-5H3/t8-/m0/s1
InChIKeyKKTHXFBPSDETEN-QMMMGPOBSA-N
MW189.32 g/mol
LogP1.95
Rot. Bonds3

About (2S)-N,N-di(propan-2-yl)-2-sulfanylpropanamide

(2S)-N,N-di(propan-2-yl)-2-sulfanylpropanamide (PubChem CID 14857884) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is (2S)-N,N-di(propan-2-yl)-2-sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N,N-di(propan-2-yl)-2-sulfanylpropanamide
PubChem CID14857884
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name(2S)-N,N-di(propan-2-yl)-2-sulfanylpropanamide
SMILESCC(C)N(C(=O)[C@H](C)S)C(C)C
InChIInChI=1S/C9H19NOS/c1-6(2)10(7(3)4)9(11)8(5)12/h6-8,12H,1-5H3/t8-/m0/s1
InChIKeyKKTHXFBPSDETEN-QMMMGPOBSA-N
XLogP1.95
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (2S)-N,N-di(propan-2-yl)-2-sulfanylpropanamide?
The IUPAC name of (2S)-N,N-di(propan-2-yl)-2-sulfanylpropanamide (CID 14857884) is (2S)-N,N-di(propan-2-yl)-2-sulfanylpropanamide.
What is the SMILES notation for (2S)-N,N-di(propan-2-yl)-2-sulfanylpropanamide?
The canonical SMILES for (2S)-N,N-di(propan-2-yl)-2-sulfanylpropanamide is CC(C)N(C(=O)[C@H](C)S)C(C)C.
What is the InChIKey of (2S)-N,N-di(propan-2-yl)-2-sulfanylpropanamide?
The InChIKey is KKTHXFBPSDETEN-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H19NOS/c1-6(2)10(7(3)4)9(11)8(5)12/h6-8,12H,1-5H3/t8-/m0/s1.
What are the key properties of (2S)-N,N-di(propan-2-yl)-2-sulfanylpropanamide?
(2S)-N,N-di(propan-2-yl)-2-sulfanylpropanamide has a molecular weight of 189.32 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-di(propan-2-yl)-2-sulfanylpropanamide is sourced from PubChem (CID 14857884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).