1,1-dioxo-N-(4-phenylbutan-2-yl)thian-4-amine

C15H23NO2S — CID 43511639

IUPAC1,1-dioxo-N-(4-phenylbutan-2-yl)thian-4-amine
SMILESCC(CCc1ccccc1)NC1CCS(=O)(=O)CC1
InChIInChI=1S/C15H23NO2S/c1-13(7-8-14-5-3-2-4-6-14)16-15-9-11-19(17,18)12-10-15/h2-6,13,15-16H,7-12H2,1H3
InChIKeyLCLWTHNBPQDRKI-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.17
Rot. Bonds5

About 1,1-dioxo-N-(4-phenylbutan-2-yl)thian-4-amine

1,1-dioxo-N-(4-phenylbutan-2-yl)thian-4-amine (PubChem CID 43511639) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 1,1-dioxo-N-(4-phenylbutan-2-yl)thian-4-amine.

Molecular Properties

Compound Name1,1-dioxo-N-(4-phenylbutan-2-yl)thian-4-amine
PubChem CID43511639
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name1,1-dioxo-N-(4-phenylbutan-2-yl)thian-4-amine
SMILESCC(CCc1ccccc1)NC1CCS(=O)(=O)CC1
InChIInChI=1S/C15H23NO2S/c1-13(7-8-14-5-3-2-4-6-14)16-15-9-11-19(17,18)12-10-15/h2-6,13,15-16H,7-12H2,1H3
InChIKeyLCLWTHNBPQDRKI-UHFFFAOYSA-N
XLogP2.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-phenylbutan-2-yl)cyclohexanamine
CID 10633307
1-methyl-N-(4-phenylbutan-2-yl)pyrrolidin-3-amine
CID 61461386
1-methyl-N-(4-phenylbutan-2-yl)piperidin-3-amine
CID 61210453
N-(4-phenylbutan-2-yl)oxolan-3-amine
CID 63331840
1-methyl-5-(4-phenylbutan-2-ylamino)piperidin-2-one
CID 64654292
2-[4-(4-phenylbutan-2-ylamino)piperidin-1-yl]acetamide
CID 43746850
N-[1-(2,6-difluorophenyl)propan-2-yl]-1,1-dioxothian-4-amine
CID 60942214
1-(1,1-dioxothiolan-3-yl)-N-methyl-3-phenylpropan-1-amine
CID 55128835
N-(1,1-dioxothiolan-3-yl)-3-[[ethylamino-(4-phenylbutan-2-ylamino)methylidene]amino]propanamide;hydroiodide
CID 111172542
N-[(2S)-4-phenylbutan-2-yl]cyclopropanecarboxamide
CID 844321
2,2-diethyl-N-(4-phenylbutan-2-yl)oxan-4-amine
CID 83035848
(2S)-2-[(1,1-dioxothian-4-yl)amino]-2-phenylethanol
CID 114010168

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-(4-phenylbutan-2-yl)thian-4-amine?
The IUPAC name of 1,1-dioxo-N-(4-phenylbutan-2-yl)thian-4-amine (CID 43511639) is 1,1-dioxo-N-(4-phenylbutan-2-yl)thian-4-amine.
What is the SMILES notation for 1,1-dioxo-N-(4-phenylbutan-2-yl)thian-4-amine?
The canonical SMILES for 1,1-dioxo-N-(4-phenylbutan-2-yl)thian-4-amine is CC(CCc1ccccc1)NC1CCS(=O)(=O)CC1.
What is the InChIKey of 1,1-dioxo-N-(4-phenylbutan-2-yl)thian-4-amine?
The InChIKey is LCLWTHNBPQDRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-13(7-8-14-5-3-2-4-6-14)16-15-9-11-19(17,18)12-10-15/h2-6,13,15-16H,7-12H2,1H3.
What are the key properties of 1,1-dioxo-N-(4-phenylbutan-2-yl)thian-4-amine?
1,1-dioxo-N-(4-phenylbutan-2-yl)thian-4-amine has a molecular weight of 281.42 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-(4-phenylbutan-2-yl)thian-4-amine is sourced from PubChem (CID 43511639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).