N-[(1S)-1-(4-tert-butylphenyl)ethyl]-1-cyclopropyl-2-methylpropane-2-sulfinamide

C19H31NOS — CID 154659527

IUPACN-[(1S)-1-(4-tert-butylphenyl)ethyl]-1-cyclopropyl-2-methylpropane-2-sulfinamide
SMILESC[C@H](NS(=O)C(C)(C)CC1CC1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H31NOS/c1-14(16-9-11-17(12-10-16)18(2,3)4)20-22(21)19(5,6)13-15-7-8-15/h9-12,14-15,20H,7-8,13H2,1-6H3/t14-,22?/m0/s1
InChIKeyORMKZCSQWSLDLI-XLEXHMCLSA-N
MW321.53 g/mol
LogP4.88
Rot. Bonds6

About N-[(1S)-1-(4-tert-butylphenyl)ethyl]-1-cyclopropyl-2-methylpropane-2-sulfinamide

N-[(1S)-1-(4-tert-butylphenyl)ethyl]-1-cyclopropyl-2-methylpropane-2-sulfinamide (PubChem CID 154659527) has the molecular formula C19H31NOS and a molecular weight of 321.53 g/mol. Its IUPAC name is N-[(1S)-1-(4-tert-butylphenyl)ethyl]-1-cyclopropyl-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-tert-butylphenyl)ethyl]-1-cyclopropyl-2-methylpropane-2-sulfinamide
PubChem CID154659527
Molecular FormulaC19H31NOS
Molecular Weight321.53 g/mol
Exact Mass321.21
IUPAC NameN-[(1S)-1-(4-tert-butylphenyl)ethyl]-1-cyclopropyl-2-methylpropane-2-sulfinamide
SMILESC[C@H](NS(=O)C(C)(C)CC1CC1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H31NOS/c1-14(16-9-11-17(12-10-16)18(2,3)4)20-22(21)19(5,6)13-15-7-8-15/h9-12,14-15,20H,7-8,13H2,1-6H3/t14-,22?/m0/s1
InChIKeyORMKZCSQWSLDLI-XLEXHMCLSA-N
XLogP4.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.53
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-tert-butylphenyl)ethyl]cycloheptanamine
CID 43095672
N-[1-(4-tert-butylphenyl)ethyl]-1-methylsulfinylpropan-2-amine
CID 104537779
1-(4-tert-butylphenyl)-N-[(1,1-dioxothiolan-2-yl)methyl]ethanamine
CID 81043492
1-(4-tert-butylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43674130
2-[1-(4-tert-butylphenyl)ethylamino]-N-cyclopropylacetamide
CID 43568343
1-(4-tert-butylphenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82834989
(S)-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 86732639
(R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 118230707
(1S)-N-[1-(4-tert-butylphenyl)ethyl]-1-cyclopentylethanamine
CID 81386295
2-(4-tert-butylphenyl)-2-(cyclopropylmethylamino)acetic acid
CID 54894831
N-[1-(4-tert-butylphenyl)ethyl]formamide
CID 64990834
N-[1-(4-tert-butylphenyl)ethyl]-3-(cyclopropylamino)propanamide
CID 60866018

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-tert-butylphenyl)ethyl]-1-cyclopropyl-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(1S)-1-(4-tert-butylphenyl)ethyl]-1-cyclopropyl-2-methylpropane-2-sulfinamide (CID 154659527) is N-[(1S)-1-(4-tert-butylphenyl)ethyl]-1-cyclopropyl-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(1S)-1-(4-tert-butylphenyl)ethyl]-1-cyclopropyl-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(1S)-1-(4-tert-butylphenyl)ethyl]-1-cyclopropyl-2-methylpropane-2-sulfinamide is C[C@H](NS(=O)C(C)(C)CC1CC1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[(1S)-1-(4-tert-butylphenyl)ethyl]-1-cyclopropyl-2-methylpropane-2-sulfinamide?
The InChIKey is ORMKZCSQWSLDLI-XLEXHMCLSA-N. The full InChI is InChI=1S/C19H31NOS/c1-14(16-9-11-17(12-10-16)18(2,3)4)20-22(21)19(5,6)13-15-7-8-15/h9-12,14-15,20H,7-8,13H2,1-6H3/t14-,22?/m0/s1.
What are the key properties of N-[(1S)-1-(4-tert-butylphenyl)ethyl]-1-cyclopropyl-2-methylpropane-2-sulfinamide?
N-[(1S)-1-(4-tert-butylphenyl)ethyl]-1-cyclopropyl-2-methylpropane-2-sulfinamide has a molecular weight of 321.53 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-tert-butylphenyl)ethyl]-1-cyclopropyl-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 154659527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).