N-(2,4-dimethyl-4-sulfanylpentan-2-yl)formamide

C8H17NOS — CID 89377125

IUPACN-(2,4-dimethyl-4-sulfanylpentan-2-yl)formamide
SMILESCC(C)(S)CC(C)(C)NC=O
InChIInChI=1S/C8H17NOS/c1-7(2,9-6-10)5-8(3,4)11/h6,11H,5H2,1-4H3,(H,9,10)
InChIKeyPXJOWYUXIMVKDF-UHFFFAOYSA-N
MW175.30 g/mol
LogP1.61
Rot. Bonds4

About N-(2,4-dimethyl-4-sulfanylpentan-2-yl)formamide

N-(2,4-dimethyl-4-sulfanylpentan-2-yl)formamide (PubChem CID 89377125) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is N-(2,4-dimethyl-4-sulfanylpentan-2-yl)formamide.

Molecular Properties

Compound NameN-(2,4-dimethyl-4-sulfanylpentan-2-yl)formamide
PubChem CID89377125
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC NameN-(2,4-dimethyl-4-sulfanylpentan-2-yl)formamide
SMILESCC(C)(S)CC(C)(C)NC=O
InChIInChI=1S/C8H17NOS/c1-7(2,9-6-10)5-8(3,4)11/h6,11H,5H2,1-4H3,(H,9,10)
InChIKeyPXJOWYUXIMVKDF-UHFFFAOYSA-N
XLogP1.61
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethyl-4-sulfanylpentan-2-yl)formamide?
The IUPAC name of N-(2,4-dimethyl-4-sulfanylpentan-2-yl)formamide (CID 89377125) is N-(2,4-dimethyl-4-sulfanylpentan-2-yl)formamide.
What is the SMILES notation for N-(2,4-dimethyl-4-sulfanylpentan-2-yl)formamide?
The canonical SMILES for N-(2,4-dimethyl-4-sulfanylpentan-2-yl)formamide is CC(C)(S)CC(C)(C)NC=O.
What is the InChIKey of N-(2,4-dimethyl-4-sulfanylpentan-2-yl)formamide?
The InChIKey is PXJOWYUXIMVKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-7(2,9-6-10)5-8(3,4)11/h6,11H,5H2,1-4H3,(H,9,10).
What are the key properties of N-(2,4-dimethyl-4-sulfanylpentan-2-yl)formamide?
N-(2,4-dimethyl-4-sulfanylpentan-2-yl)formamide has a molecular weight of 175.30 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethyl-4-sulfanylpentan-2-yl)formamide is sourced from PubChem (CID 89377125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).