N-(2-methyl-1-sulfanylpropan-2-yl)-4-sulfanylbutanamide

C8H17NOS2 — CID 23104789

IUPACN-(2-methyl-1-sulfanylpropan-2-yl)-4-sulfanylbutanamide
SMILESCC(C)(CS)NC(=O)CCCS
InChIInChI=1S/C8H17NOS2/c1-8(2,6-12)9-7(10)4-3-5-11/h11-12H,3-6H2,1-2H3,(H,9,10)
InChIKeyIXLYGURHDQIRLX-UHFFFAOYSA-N
MW207.36 g/mol
LogP1.52
Rot. Bonds5

About N-(2-methyl-1-sulfanylpropan-2-yl)-4-sulfanylbutanamide

N-(2-methyl-1-sulfanylpropan-2-yl)-4-sulfanylbutanamide (PubChem CID 23104789) has the molecular formula C8H17NOS2 and a molecular weight of 207.36 g/mol. Its IUPAC name is N-(2-methyl-1-sulfanylpropan-2-yl)-4-sulfanylbutanamide.

Molecular Properties

Compound NameN-(2-methyl-1-sulfanylpropan-2-yl)-4-sulfanylbutanamide
PubChem CID23104789
Molecular FormulaC8H17NOS2
Molecular Weight207.36 g/mol
Exact Mass207.08
IUPAC NameN-(2-methyl-1-sulfanylpropan-2-yl)-4-sulfanylbutanamide
SMILESCC(C)(CS)NC(=O)CCCS
InChIInChI=1S/C8H17NOS2/c1-8(2,6-12)9-7(10)4-3-5-11/h11-12H,3-6H2,1-2H3,(H,9,10)
InChIKeyIXLYGURHDQIRLX-UHFFFAOYSA-N
XLogP1.52
TPSA29.10 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-3-sulfanylpropanamide
CID 14292941
Bis-(N-tert-butyl-3-propanamide) disulfane
CID 21822484
3-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)-3-sulfanylbutanamide
CID 23104694
2-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)-2-sulfanylpropanamide
CID 23104699
N-(2-methyl-1-sulfanylpropan-2-yl)-2-sulfanylpropanamide
CID 23104711
N-(2-methyl-1-sulfanylpropan-2-yl)-2-sulfanylacetamide
CID 23104729
N-(2-methyl-1-sulfanylpropan-2-yl)-3-sulfanylpropanamide
CID 23104736
2,2-dimethyl-N-(2-methyl-1-sulfanylpropan-2-yl)-3-sulfanylpropanamide
CID 23104747
2-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)-3-sulfanylpropanamide
CID 23104768
N-(2-methyl-1-sulfanylpropan-2-yl)-5-sulfanylpentanamide
CID 23104770
CID 59990224
CID 59990224
N-(2-methyl-1-sulfanylpropan-2-yl)-2-sulfanylbutanamide
CID 86074623

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-sulfanylpropan-2-yl)-4-sulfanylbutanamide?
The IUPAC name of N-(2-methyl-1-sulfanylpropan-2-yl)-4-sulfanylbutanamide (CID 23104789) is N-(2-methyl-1-sulfanylpropan-2-yl)-4-sulfanylbutanamide.
What is the SMILES notation for N-(2-methyl-1-sulfanylpropan-2-yl)-4-sulfanylbutanamide?
The canonical SMILES for N-(2-methyl-1-sulfanylpropan-2-yl)-4-sulfanylbutanamide is CC(C)(CS)NC(=O)CCCS.
What is the InChIKey of N-(2-methyl-1-sulfanylpropan-2-yl)-4-sulfanylbutanamide?
The InChIKey is IXLYGURHDQIRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS2/c1-8(2,6-12)9-7(10)4-3-5-11/h11-12H,3-6H2,1-2H3,(H,9,10).
What are the key properties of N-(2-methyl-1-sulfanylpropan-2-yl)-4-sulfanylbutanamide?
N-(2-methyl-1-sulfanylpropan-2-yl)-4-sulfanylbutanamide has a molecular weight of 207.36 g/mol, XLogP of 1.52, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-sulfanylpropan-2-yl)-4-sulfanylbutanamide is sourced from PubChem (CID 23104789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).