N-tert-butyl-3-(sulfanylmethyl)pentanamide

C10H21NOS — CID 137491922

IUPACN-tert-butyl-3-(sulfanylmethyl)pentanamide
SMILESCCC(CS)CC(=O)NC(C)(C)C
InChIInChI=1S/C10H21NOS/c1-5-8(7-13)6-9(12)11-10(2,3)4/h8,13H,5-7H2,1-4H3,(H,11,12)
InChIKeyXLWMDWGCOUWJRP-UHFFFAOYSA-N
MW203.35 g/mol
LogP2.25
Rot. Bonds4

About N-tert-butyl-3-(sulfanylmethyl)pentanamide

N-tert-butyl-3-(sulfanylmethyl)pentanamide (PubChem CID 137491922) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is N-tert-butyl-3-(sulfanylmethyl)pentanamide.

Molecular Properties

Compound NameN-tert-butyl-3-(sulfanylmethyl)pentanamide
PubChem CID137491922
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC NameN-tert-butyl-3-(sulfanylmethyl)pentanamide
SMILESCCC(CS)CC(=O)NC(C)(C)C
InChIInChI=1S/C10H21NOS/c1-5-8(7-13)6-9(12)11-10(2,3)4/h8,13H,5-7H2,1-4H3,(H,11,12)
InChIKeyXLWMDWGCOUWJRP-UHFFFAOYSA-N
XLogP2.25
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(sulfanylmethyl)pentanamide?
The IUPAC name of N-tert-butyl-3-(sulfanylmethyl)pentanamide (CID 137491922) is N-tert-butyl-3-(sulfanylmethyl)pentanamide.
What is the SMILES notation for N-tert-butyl-3-(sulfanylmethyl)pentanamide?
The canonical SMILES for N-tert-butyl-3-(sulfanylmethyl)pentanamide is CCC(CS)CC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-(sulfanylmethyl)pentanamide?
The InChIKey is XLWMDWGCOUWJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-5-8(7-13)6-9(12)11-10(2,3)4/h8,13H,5-7H2,1-4H3,(H,11,12).
What are the key properties of N-tert-butyl-3-(sulfanylmethyl)pentanamide?
N-tert-butyl-3-(sulfanylmethyl)pentanamide has a molecular weight of 203.35 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(sulfanylmethyl)pentanamide is sourced from PubChem (CID 137491922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).