N-(1-hydroxysulfanyl-2-methylpropan-2-yl)-2-methylbutanamide

C9H19NO2S — CID 87415393

IUPACN-(1-hydroxysulfanyl-2-methylpropan-2-yl)-2-methylbutanamide
SMILESCCC(C)C(=O)NC(C)(C)CSO
InChIInChI=1S/C9H19NO2S/c1-5-7(2)8(11)10-9(3,4)6-13-12/h7,12H,5-6H2,1-4H3,(H,10,11)
InChIKeyGAAJTEPHRWPBKP-UHFFFAOYSA-N
MW205.32 g/mol
LogP2.13
Rot. Bonds5

About N-(1-hydroxysulfanyl-2-methylpropan-2-yl)-2-methylbutanamide

N-(1-hydroxysulfanyl-2-methylpropan-2-yl)-2-methylbutanamide (PubChem CID 87415393) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is N-(1-hydroxysulfanyl-2-methylpropan-2-yl)-2-methylbutanamide.

Molecular Properties

Compound NameN-(1-hydroxysulfanyl-2-methylpropan-2-yl)-2-methylbutanamide
PubChem CID87415393
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC NameN-(1-hydroxysulfanyl-2-methylpropan-2-yl)-2-methylbutanamide
SMILESCCC(C)C(=O)NC(C)(C)CSO
InChIInChI=1S/C9H19NO2S/c1-5-7(2)8(11)10-9(3,4)6-13-12/h7,12H,5-6H2,1-4H3,(H,10,11)
InChIKeyGAAJTEPHRWPBKP-UHFFFAOYSA-N
XLogP2.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxysulfanyl-2-methylpropan-2-yl)-2-methylbutanamide?
The IUPAC name of N-(1-hydroxysulfanyl-2-methylpropan-2-yl)-2-methylbutanamide (CID 87415393) is N-(1-hydroxysulfanyl-2-methylpropan-2-yl)-2-methylbutanamide.
What is the SMILES notation for N-(1-hydroxysulfanyl-2-methylpropan-2-yl)-2-methylbutanamide?
The canonical SMILES for N-(1-hydroxysulfanyl-2-methylpropan-2-yl)-2-methylbutanamide is CCC(C)C(=O)NC(C)(C)CSO.
What is the InChIKey of N-(1-hydroxysulfanyl-2-methylpropan-2-yl)-2-methylbutanamide?
The InChIKey is GAAJTEPHRWPBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-5-7(2)8(11)10-9(3,4)6-13-12/h7,12H,5-6H2,1-4H3,(H,10,11).
What are the key properties of N-(1-hydroxysulfanyl-2-methylpropan-2-yl)-2-methylbutanamide?
N-(1-hydroxysulfanyl-2-methylpropan-2-yl)-2-methylbutanamide has a molecular weight of 205.32 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxysulfanyl-2-methylpropan-2-yl)-2-methylbutanamide is sourced from PubChem (CID 87415393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).