N-(cyclopropylmethylidene)-2-methylpropane-2-sulfinamide

C8H15NOS — CID 66701339

IUPACN-(cyclopropylmethylidene)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N=CC1CC1
InChIInChI=1S/C8H15NOS/c1-8(2,3)11(10)9-6-7-4-5-7/h6-7H,4-5H2,1-3H3
InChIKeyRJWKIBPXFVCJQH-UHFFFAOYSA-N
MW173.28 g/mol
LogP1.93
Rot. Bonds2

About N-(cyclopropylmethylidene)-2-methylpropane-2-sulfinamide

N-(cyclopropylmethylidene)-2-methylpropane-2-sulfinamide (PubChem CID 66701339) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is N-(cyclopropylmethylidene)-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-(cyclopropylmethylidene)-2-methylpropane-2-sulfinamide
PubChem CID66701339
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC NameN-(cyclopropylmethylidene)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N=CC1CC1
InChIInChI=1S/C8H15NOS/c1-8(2,3)11(10)9-6-7-4-5-7/h6-7H,4-5H2,1-3H3
InChIKeyRJWKIBPXFVCJQH-UHFFFAOYSA-N
XLogP1.93
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethylidene)-2-methylpropane-2-sulfinamide?
The IUPAC name of N-(cyclopropylmethylidene)-2-methylpropane-2-sulfinamide (CID 66701339) is N-(cyclopropylmethylidene)-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-(cyclopropylmethylidene)-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-(cyclopropylmethylidene)-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)N=CC1CC1.
What is the InChIKey of N-(cyclopropylmethylidene)-2-methylpropane-2-sulfinamide?
The InChIKey is RJWKIBPXFVCJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS/c1-8(2,3)11(10)9-6-7-4-5-7/h6-7H,4-5H2,1-3H3.
What are the key properties of N-(cyclopropylmethylidene)-2-methylpropane-2-sulfinamide?
N-(cyclopropylmethylidene)-2-methylpropane-2-sulfinamide has a molecular weight of 173.28 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethylidene)-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 66701339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).