3-ethylpentane-3-sulfinamide

C7H17NOS — CID 22482977

IUPAC3-ethylpentane-3-sulfinamide
SMILESCCC(CC)(CC)S(N)=O
InChIInChI=1S/C7H17NOS/c1-4-7(5-2,6-3)10(8)9/h4-6,8H2,1-3H3
InChIKeyDDPVOERMBGQAKQ-UHFFFAOYSA-N
MW163.29 g/mol
LogP1.58
Rot. Bonds4

About 3-ethylpentane-3-sulfinamide

3-ethylpentane-3-sulfinamide (PubChem CID 22482977) has the molecular formula C7H17NOS and a molecular weight of 163.29 g/mol. Its IUPAC name is 3-ethylpentane-3-sulfinamide.

Molecular Properties

Compound Name3-ethylpentane-3-sulfinamide
PubChem CID22482977
Molecular FormulaC7H17NOS
Molecular Weight163.29 g/mol
Exact Mass163.10
IUPAC Name3-ethylpentane-3-sulfinamide
SMILESCCC(CC)(CC)S(N)=O
InChIInChI=1S/C7H17NOS/c1-4-7(5-2,6-3)10(8)9/h4-6,8H2,1-3H3
InChIKeyDDPVOERMBGQAKQ-UHFFFAOYSA-N
XLogP1.58
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.29
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethylpentane-3-sulfinamide?
The IUPAC name of 3-ethylpentane-3-sulfinamide (CID 22482977) is 3-ethylpentane-3-sulfinamide.
What is the SMILES notation for 3-ethylpentane-3-sulfinamide?
The canonical SMILES for 3-ethylpentane-3-sulfinamide is CCC(CC)(CC)S(N)=O.
What is the InChIKey of 3-ethylpentane-3-sulfinamide?
The InChIKey is DDPVOERMBGQAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NOS/c1-4-7(5-2,6-3)10(8)9/h4-6,8H2,1-3H3.
What are the key properties of 3-ethylpentane-3-sulfinamide?
3-ethylpentane-3-sulfinamide has a molecular weight of 163.29 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylpentane-3-sulfinamide is sourced from PubChem (CID 22482977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).