(2-cyclopropylphenyl)-(1,1-dioxothiolan-3-yl)methanamine

C14H19NO2S — CID 79977858

IUPAC(2-cyclopropylphenyl)-(1,1-dioxothiolan-3-yl)methanamine
SMILESNC(c1ccccc1C1CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H19NO2S/c15-14(11-7-8-18(16,17)9-11)13-4-2-1-3-12(13)10-5-6-10/h1-4,10-11,14H,5-9,15H2
InChIKeyPPIKZXPIFIHHNK-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.00
Rot. Bonds3

About (2-cyclopropylphenyl)-(1,1-dioxothiolan-3-yl)methanamine

(2-cyclopropylphenyl)-(1,1-dioxothiolan-3-yl)methanamine (PubChem CID 79977858) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is (2-cyclopropylphenyl)-(1,1-dioxothiolan-3-yl)methanamine.

Molecular Properties

Compound Name(2-cyclopropylphenyl)-(1,1-dioxothiolan-3-yl)methanamine
PubChem CID79977858
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name(2-cyclopropylphenyl)-(1,1-dioxothiolan-3-yl)methanamine
SMILESNC(c1ccccc1C1CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H19NO2S/c15-14(11-7-8-18(16,17)9-11)13-4-2-1-3-12(13)10-5-6-10/h1-4,10-11,14H,5-9,15H2
InChIKeyPPIKZXPIFIHHNK-UHFFFAOYSA-N
XLogP2.00
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-cyclopropylphenyl)-(1,1-dioxothiolan-3-yl)methyl]ethanamine
CID 79978095
(2-cyclobutylphenyl)-cyclopropylmethanamine
CID 114602603
2,3-dihydro-1-benzofuran-7-yl-(1,1-dioxothiolan-3-yl)methanamine
CID 114745990
(2,2-dimethyl-3H-1-benzofuran-7-yl)-(1,1-dioxothiolan-3-yl)methanamine
CID 64507240
(2-cyclobutylphenyl)-(4-propan-2-ylcyclohexyl)methanamine
CID 114603457
(1,1-dioxothiolan-3-yl)-(5-fluoro-2-methylphenyl)methanamine
CID 115336531
1-[2-[(1,1-dioxothiolan-3-yl)-hydroxymethyl]phenyl]ethanone
CID 115050015
(1,1-dioxothiolan-3-yl)-quinolin-3-ylmethanamine
CID 115336525
(1,1-dioxothiolan-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 64906184
(1,1-dioxothiolan-3-yl)-(1,2-thiazol-4-yl)methanamine
CID 164648502
2-(1,1-dioxothian-4-yl)aniline
CID 105483189
(4-butan-2-ylphenyl)-(1,1-dioxothiolan-3-yl)methanamine
CID 64905563

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylphenyl)-(1,1-dioxothiolan-3-yl)methanamine?
The IUPAC name of (2-cyclopropylphenyl)-(1,1-dioxothiolan-3-yl)methanamine (CID 79977858) is (2-cyclopropylphenyl)-(1,1-dioxothiolan-3-yl)methanamine.
What is the SMILES notation for (2-cyclopropylphenyl)-(1,1-dioxothiolan-3-yl)methanamine?
The canonical SMILES for (2-cyclopropylphenyl)-(1,1-dioxothiolan-3-yl)methanamine is NC(c1ccccc1C1CC1)C1CCS(=O)(=O)C1.
What is the InChIKey of (2-cyclopropylphenyl)-(1,1-dioxothiolan-3-yl)methanamine?
The InChIKey is PPIKZXPIFIHHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c15-14(11-7-8-18(16,17)9-11)13-4-2-1-3-12(13)10-5-6-10/h1-4,10-11,14H,5-9,15H2.
What are the key properties of (2-cyclopropylphenyl)-(1,1-dioxothiolan-3-yl)methanamine?
(2-cyclopropylphenyl)-(1,1-dioxothiolan-3-yl)methanamine has a molecular weight of 265.38 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropylphenyl)-(1,1-dioxothiolan-3-yl)methanamine is sourced from PubChem (CID 79977858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).