N-[(1R)-1-cyclopropylbut-3-enyl]-2-methylpropane-2-sulfinamide

C11H21NOS — CID 101416910

IUPACN-[(1R)-1-cyclopropylbut-3-enyl]-2-methylpropane-2-sulfinamide
SMILESC=CC[C@@H](NS(=O)C(C)(C)C)C1CC1
InChIInChI=1S/C11H21NOS/c1-5-6-10(9-7-8-9)12-14(13)11(2,3)4/h5,9-10,12H,1,6-8H2,2-4H3/t10-,14?/m1/s1
InChIKeySIYKVJOQAHXTBS-IAPIXIRKSA-N
MW215.36 g/mol
LogP2.39
Rot. Bonds5

About N-[(1R)-1-cyclopropylbut-3-enyl]-2-methylpropane-2-sulfinamide

N-[(1R)-1-cyclopropylbut-3-enyl]-2-methylpropane-2-sulfinamide (PubChem CID 101416910) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is N-[(1R)-1-cyclopropylbut-3-enyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclopropylbut-3-enyl]-2-methylpropane-2-sulfinamide
PubChem CID101416910
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC NameN-[(1R)-1-cyclopropylbut-3-enyl]-2-methylpropane-2-sulfinamide
SMILESC=CC[C@@H](NS(=O)C(C)(C)C)C1CC1
InChIInChI=1S/C11H21NOS/c1-5-6-10(9-7-8-9)12-14(13)11(2,3)4/h5,9-10,12H,1,6-8H2,2-4H3/t10-,14?/m1/s1
InChIKeySIYKVJOQAHXTBS-IAPIXIRKSA-N
XLogP2.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(R)-N-[(3S)-2,5-dimethylhex-5-en-3-yl]-2-methylpropane-2-sulfinamide
CID 125475719
2-methyl-N-[(4R)-6-methylhept-1-en-4-yl]propane-2-sulfinamide
CID 132574202
2-methyl-N-(7,7,7-trifluoro-3-methylhept-1-en-4-yl)propane-2-sulfinamide
CID 163278730
N-[1-(2,2-difluorocyclopropyl)but-3-enyl]-2-methylpropane-2-sulfinamide
CID 163279099
Tert-butyl-oxido-[(1,5,7-trifluoro-3-methylhept-1-en-4-yl)amino]sulfanium
CID 175485396
(R)-N-[(1S)-1-cyclohexylbut-3-enyl]-2-methylpropane-2-sulfinamide
CID 11984214
(S)-2-methyl-N-[(3R)-2-methylhex-5-en-3-yl]propane-2-sulfinamide
CID 71573514
(R)-N-[(1S)-1-cyclopropylbut-3-enyl]-2-methylpropane-2-sulfinamide
CID 134939663
(R)-N-[(1R)-1-cyclopropylbut-3-enyl]-2-methylpropane-2-sulfinamide
CID 134939670
(R)-2-methyl-N-[(3S)-2-methylhex-5-en-3-yl]propane-2-sulfinamide
CID 134963746
(R)-2-methyl-N-[(E,5S)-2-methyldec-6-en-5-yl]propane-2-sulfinamide
CID 135000629
(R)-N-[(3S)-hex-5-en-3-yl]-2-methylpropane-2-sulfinamide
CID 135005878

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclopropylbut-3-enyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(1R)-1-cyclopropylbut-3-enyl]-2-methylpropane-2-sulfinamide (CID 101416910) is N-[(1R)-1-cyclopropylbut-3-enyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(1R)-1-cyclopropylbut-3-enyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(1R)-1-cyclopropylbut-3-enyl]-2-methylpropane-2-sulfinamide is C=CC[C@@H](NS(=O)C(C)(C)C)C1CC1.
What is the InChIKey of N-[(1R)-1-cyclopropylbut-3-enyl]-2-methylpropane-2-sulfinamide?
The InChIKey is SIYKVJOQAHXTBS-IAPIXIRKSA-N. The full InChI is InChI=1S/C11H21NOS/c1-5-6-10(9-7-8-9)12-14(13)11(2,3)4/h5,9-10,12H,1,6-8H2,2-4H3/t10-,14?/m1/s1.
What are the key properties of N-[(1R)-1-cyclopropylbut-3-enyl]-2-methylpropane-2-sulfinamide?
N-[(1R)-1-cyclopropylbut-3-enyl]-2-methylpropane-2-sulfinamide has a molecular weight of 215.36 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclopropylbut-3-enyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 101416910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).