(3R)-N-[(3-cyclopentyloxyphenyl)methyl]-N-cyclopropyl-1,1-dioxothiolan-3-amine

C19H27NO3S — CID 97332294

IUPAC(3R)-N-[(3-cyclopentyloxyphenyl)methyl]-N-cyclopropyl-1,1-dioxothiolan-3-amine
SMILESO=S1(=O)CC[C@@H](N(Cc2cccc(OC3CCCC3)c2)C2CC2)C1
InChIInChI=1S/C19H27NO3S/c21-24(22)11-10-17(14-24)20(16-8-9-16)13-15-4-3-7-19(12-15)23-18-5-1-2-6-18/h3-4,7,12,16-18H,1-2,5-6,8-11,13-14H2/t17-/m1/s1
InChIKeyBOFMMUQBNJXHRX-QGZVFWFLSA-N
MW349.50 g/mol
LogP3.16
Rot. Bonds6

About (3R)-N-[(3-cyclopentyloxyphenyl)methyl]-N-cyclopropyl-1,1-dioxothiolan-3-amine

(3R)-N-[(3-cyclopentyloxyphenyl)methyl]-N-cyclopropyl-1,1-dioxothiolan-3-amine (PubChem CID 97332294) has the molecular formula C19H27NO3S and a molecular weight of 349.50 g/mol. Its IUPAC name is (3R)-N-[(3-cyclopentyloxyphenyl)methyl]-N-cyclopropyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound Name(3R)-N-[(3-cyclopentyloxyphenyl)methyl]-N-cyclopropyl-1,1-dioxothiolan-3-amine
PubChem CID97332294
Molecular FormulaC19H27NO3S
Molecular Weight349.50 g/mol
Exact Mass349.17
IUPAC Name(3R)-N-[(3-cyclopentyloxyphenyl)methyl]-N-cyclopropyl-1,1-dioxothiolan-3-amine
SMILESO=S1(=O)CC[C@@H](N(Cc2cccc(OC3CCCC3)c2)C2CC2)C1
InChIInChI=1S/C19H27NO3S/c21-24(22)11-10-17(14-24)20(16-8-9-16)13-15-4-3-7-19(12-15)23-18-5-1-2-6-18/h3-4,7,12,16-18H,1-2,5-6,8-11,13-14H2/t17-/m1/s1
InChIKeyBOFMMUQBNJXHRX-QGZVFWFLSA-N
XLogP3.16
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R)-N-[(3-cyclopentyloxyphenyl)methyl]-N-cyclopropyl-1,1-dioxothiolan-3-amine with MolForge

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Related Compounds

N-[(4-aminophenyl)methyl]-N-cyclopropyl-1,1-dioxothiolan-3-amine
CID 54915018
N-[(4-methoxyphenyl)methyl]-1,1-dioxo-N-[(3-propan-2-yloxyphenyl)methyl]thiolan-3-amine
CID 55831232
2-(3-cyclopentyloxyphenyl)ethanamine;hydrochloride
CID 155896532
(3-ethylphenoxy)cyclooctane
CID 91220327
N-[(3R)-1,1-dioxothiolan-3-yl]-3-methoxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 40643442
N-[3-[3-(aminomethyl)phenoxy]propyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 43648588
N-[(3S)-1,1-dioxothiolan-3-yl]-4-methoxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 40643441
1-cyclobutyloxy-3-(isocyanatomethyl)benzene
CID 117291474
N-[[3-(1,1-dioxothiolan-3-yl)oxyphenyl]methyl]propan-1-amine
CID 54914729
N-(1,1-dioxothiolan-3-yl)-N-[(3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 46300359
3-(3-cyclobutyloxyphenyl)propan-1-amine
CID 117294096
(3-cyclopropyloxyphenyl)methanol
CID 57336629

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(3-cyclopentyloxyphenyl)methyl]-N-cyclopropyl-1,1-dioxothiolan-3-amine?
The IUPAC name of (3R)-N-[(3-cyclopentyloxyphenyl)methyl]-N-cyclopropyl-1,1-dioxothiolan-3-amine (CID 97332294) is (3R)-N-[(3-cyclopentyloxyphenyl)methyl]-N-cyclopropyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for (3R)-N-[(3-cyclopentyloxyphenyl)methyl]-N-cyclopropyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for (3R)-N-[(3-cyclopentyloxyphenyl)methyl]-N-cyclopropyl-1,1-dioxothiolan-3-amine is O=S1(=O)CC[C@@H](N(Cc2cccc(OC3CCCC3)c2)C2CC2)C1.
What is the InChIKey of (3R)-N-[(3-cyclopentyloxyphenyl)methyl]-N-cyclopropyl-1,1-dioxothiolan-3-amine?
The InChIKey is BOFMMUQBNJXHRX-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H27NO3S/c21-24(22)11-10-17(14-24)20(16-8-9-16)13-15-4-3-7-19(12-15)23-18-5-1-2-6-18/h3-4,7,12,16-18H,1-2,5-6,8-11,13-14H2/t17-/m1/s1.
What are the key properties of (3R)-N-[(3-cyclopentyloxyphenyl)methyl]-N-cyclopropyl-1,1-dioxothiolan-3-amine?
(3R)-N-[(3-cyclopentyloxyphenyl)methyl]-N-cyclopropyl-1,1-dioxothiolan-3-amine has a molecular weight of 349.50 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(3-cyclopentyloxyphenyl)methyl]-N-cyclopropyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 97332294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).