cyclopentyl-imino-(2-methylpropyl)-oxo-λ6-sulfane

C9H19NOS — CID 125456534

IUPACcyclopentyl-imino-(2-methylpropyl)-oxo-λ6-sulfane
SMILES[H]N=[S@](=O)(CC(C)C)C1CCCC1
InChIInChI=1S/C9H19NOS/c1-8(2)7-12(10,11)9-5-3-4-6-9/h8-10H,3-7H2,1-2H3/t12-/m0/s1
InChIKeyNUSIDMDBYDTQJY-LBPRGKRZSA-N
MW189.32 g/mol
LogP2.63
Rot. Bonds3

About cyclopentyl-imino-(2-methylpropyl)-oxo-λ6-sulfane

cyclopentyl-imino-(2-methylpropyl)-oxo-λ6-sulfane (PubChem CID 125456534) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is cyclopentyl-imino-(2-methylpropyl)-oxo-λ6-sulfane.

Molecular Properties

Compound Namecyclopentyl-imino-(2-methylpropyl)-oxo-λ6-sulfane
PubChem CID125456534
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Namecyclopentyl-imino-(2-methylpropyl)-oxo-λ6-sulfane
SMILES[H]N=[S@](=O)(CC(C)C)C1CCCC1
InChIInChI=1S/C9H19NOS/c1-8(2)7-12(10,11)9-5-3-4-6-9/h8-10H,3-7H2,1-2H3/t12-/m0/s1
InChIKeyNUSIDMDBYDTQJY-LBPRGKRZSA-N
XLogP2.63
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopentyl-imino-oxo-propyl-λ6-sulfane
CID 165438192
2-methylpropylsulfonylcyclopropane
CID 58333627
1-cyclohexylsulfonyl-3-(2-methylpropylsulfonyl)azetidine
CID 90594323
cyclobutyl-imino-methyl-oxo-λ6-sulfane
CID 167262038
ethyl-imino-(2-methylpropyl)-oxo-λ6-sulfane
CID 125455135
propan-2-yl cyclopentanesulfonate
CID 22436828
N-ethyl-3-(2-methylpropylsulfonyl)cyclohexan-1-amine
CID 64715674
N-(2-cyclohexylsulfonylethyl)propan-2-amine
CID 64676192
bicyclo[3.1.1]heptane;2-methylpropane-1-sulfonic acid
CID 175440767
4-cyclopentylsulfonylbutan-2-amine
CID 64674097
cis-(1R,2S)-2-(2-methylpropyl)cyclohexane-1-sulfonate;cis-(1S,2R)-2-(2-methylpropyl)cyclohexane-1-sulfonate
CID 161163930
2-cyclopentylsulfonyl-N-methylpropan-1-amine
CID 106512846

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-imino-(2-methylpropyl)-oxo-λ6-sulfane?
The IUPAC name of cyclopentyl-imino-(2-methylpropyl)-oxo-λ6-sulfane (CID 125456534) is cyclopentyl-imino-(2-methylpropyl)-oxo-λ6-sulfane.
What is the SMILES notation for cyclopentyl-imino-(2-methylpropyl)-oxo-λ6-sulfane?
The canonical SMILES for cyclopentyl-imino-(2-methylpropyl)-oxo-λ6-sulfane is [H]N=[S@](=O)(CC(C)C)C1CCCC1.
What is the InChIKey of cyclopentyl-imino-(2-methylpropyl)-oxo-λ6-sulfane?
The InChIKey is NUSIDMDBYDTQJY-LBPRGKRZSA-N. The full InChI is InChI=1S/C9H19NOS/c1-8(2)7-12(10,11)9-5-3-4-6-9/h8-10H,3-7H2,1-2H3/t12-/m0/s1.
What are the key properties of cyclopentyl-imino-(2-methylpropyl)-oxo-λ6-sulfane?
cyclopentyl-imino-(2-methylpropyl)-oxo-λ6-sulfane has a molecular weight of 189.32 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-imino-(2-methylpropyl)-oxo-λ6-sulfane is sourced from PubChem (CID 125456534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).