N-tert-butyl-2-ethyl-3-sulfanylbutanamide

C10H21NOS — CID 123936847

IUPACN-tert-butyl-2-ethyl-3-sulfanylbutanamide
SMILESCCC(C(=O)NC(C)(C)C)C(C)S
InChIInChI=1S/C10H21NOS/c1-6-8(7(2)13)9(12)11-10(3,4)5/h7-8,13H,6H2,1-5H3,(H,11,12)
InChIKeyGPCPKQZXLNLSAQ-UHFFFAOYSA-N
MW203.35 g/mol
LogP2.25
Rot. Bonds3

About N-tert-butyl-2-ethyl-3-sulfanylbutanamide

N-tert-butyl-2-ethyl-3-sulfanylbutanamide (PubChem CID 123936847) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is N-tert-butyl-2-ethyl-3-sulfanylbutanamide.

Molecular Properties

Compound NameN-tert-butyl-2-ethyl-3-sulfanylbutanamide
PubChem CID123936847
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC NameN-tert-butyl-2-ethyl-3-sulfanylbutanamide
SMILESCCC(C(=O)NC(C)(C)C)C(C)S
InChIInChI=1S/C10H21NOS/c1-6-8(7(2)13)9(12)11-10(3,4)5/h7-8,13H,6H2,1-5H3,(H,11,12)
InChIKeyGPCPKQZXLNLSAQ-UHFFFAOYSA-N
XLogP2.25
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-2-ethylbutanamide
CID 4293009
3-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)-3-sulfanylbutanamide
CID 23104694
2-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)-3-sulfanylpropanamide
CID 23104768
N-(2-methyl-1-sulfanylpropan-2-yl)-5-sulfanylpentanamide
CID 23104770
N-(2-methyl-1-sulfanylpropan-2-yl)-4-sulfanylbutanamide
CID 23104789
2-methyl-N-(2-methyl-1-oxidoperoxysulfanylpropan-2-yl)butanamide
CID 59465018
CID 59990224
CID 59990224
N-(2-methyl-1-sulfanylpropan-2-yl)-2-sulfanylbutanamide
CID 86074623
N-(2-methyl-1-sulfanylpropan-2-yl)-2-sulfanylpentanamide
CID 87177502
N-(1-hydroxysulfanyl-2-methylpropan-2-yl)-2-methylbutanamide
CID 87415393
N,2-diethyl-4-sulfanylbutanamide
CID 87450544
2-tert-butyl-4,4-dimethyl-N-(2-methyl-1-sulfanylpropan-2-yl)pentanamide
CID 88914151

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-ethyl-3-sulfanylbutanamide?
The IUPAC name of N-tert-butyl-2-ethyl-3-sulfanylbutanamide (CID 123936847) is N-tert-butyl-2-ethyl-3-sulfanylbutanamide.
What is the SMILES notation for N-tert-butyl-2-ethyl-3-sulfanylbutanamide?
The canonical SMILES for N-tert-butyl-2-ethyl-3-sulfanylbutanamide is CCC(C(=O)NC(C)(C)C)C(C)S.
What is the InChIKey of N-tert-butyl-2-ethyl-3-sulfanylbutanamide?
The InChIKey is GPCPKQZXLNLSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-6-8(7(2)13)9(12)11-10(3,4)5/h7-8,13H,6H2,1-5H3,(H,11,12).
What are the key properties of N-tert-butyl-2-ethyl-3-sulfanylbutanamide?
N-tert-butyl-2-ethyl-3-sulfanylbutanamide has a molecular weight of 203.35 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-ethyl-3-sulfanylbutanamide is sourced from PubChem (CID 123936847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).