(3R)-N-ethyl-1,1-dioxo-N-[[(3S)-piperidin-3-yl]methyl]thiolan-3-amine

C12H24N2O2S — CID 129413675

IUPAC(3R)-N-ethyl-1,1-dioxo-N-[[(3S)-piperidin-3-yl]methyl]thiolan-3-amine
SMILESCCN(C[C@H]1CCCNC1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C12H24N2O2S/c1-2-14(9-11-4-3-6-13-8-11)12-5-7-17(15,16)10-12/h11-13H,2-10H2,1H3/t11-,12+/m0/s1
InChIKeyOCLDYOOVPYGQBX-NWDGAFQWSA-N
MW260.40 g/mol
LogP0.50
Rot. Bonds4

About (3R)-N-ethyl-1,1-dioxo-N-[[(3S)-piperidin-3-yl]methyl]thiolan-3-amine

(3R)-N-ethyl-1,1-dioxo-N-[[(3S)-piperidin-3-yl]methyl]thiolan-3-amine (PubChem CID 129413675) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is (3R)-N-ethyl-1,1-dioxo-N-[[(3S)-piperidin-3-yl]methyl]thiolan-3-amine.

Molecular Properties

Compound Name(3R)-N-ethyl-1,1-dioxo-N-[[(3S)-piperidin-3-yl]methyl]thiolan-3-amine
PubChem CID129413675
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name(3R)-N-ethyl-1,1-dioxo-N-[[(3S)-piperidin-3-yl]methyl]thiolan-3-amine
SMILESCCN(C[C@H]1CCCNC1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C12H24N2O2S/c1-2-14(9-11-4-3-6-13-8-11)12-5-7-17(15,16)10-12/h11-13H,2-10H2,1H3/t11-,12+/m0/s1
InChIKeyOCLDYOOVPYGQBX-NWDGAFQWSA-N
XLogP0.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-N-ethyl-1,1-dioxo-N-[[(3S)-piperidin-3-yl]methyl]thiolan-3-amine with MolForge

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Related Compounds

N-cyclopropyl-1,1-dioxo-N-(piperidin-3-ylmethyl)thiolan-3-amine
CID 104870090
N-ethyl-N-(piperidin-3-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
CID 106624491
N-ethyl-4-(2-methylbutan-2-yl)-N-(piperidin-3-ylmethyl)cyclohexan-1-amine
CID 106624584
N-ethyl-N-(piperidin-3-ylmethyl)-1-propan-2-ylpiperidin-4-amine
CID 106624585
N-ethyl-N-(piperidin-3-ylmethyl)-3-propan-2-ylcyclohexan-1-amine
CID 107449593
N-ethyl-N-[[(3S)-pyrrolidin-3-yl]methyl]cyclohexanamine
CID 86323570
N-ethyl-1,1-dioxo-N-(pyrrolidin-2-ylmethyl)thian-4-amine
CID 106603532
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methyl(piperidin-3-yl)amino]acetamide
CID 63642515
2-[(1,1-dioxothiolan-3-yl)-ethylamino]acetamide
CID 82040848
N-(2-ethylsulfonylethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106640099
2-[cyclobutylmethyl-(1,1-dioxothiolan-3-yl)amino]acetic acid
CID 65459687
N-(1,1-dioxothiolan-3-yl)-N-propylpiperidine-3-carboxamide
CID 119268053

Frequently Asked Questions

What is the IUPAC name of (3R)-N-ethyl-1,1-dioxo-N-[[(3S)-piperidin-3-yl]methyl]thiolan-3-amine?
The IUPAC name of (3R)-N-ethyl-1,1-dioxo-N-[[(3S)-piperidin-3-yl]methyl]thiolan-3-amine (CID 129413675) is (3R)-N-ethyl-1,1-dioxo-N-[[(3S)-piperidin-3-yl]methyl]thiolan-3-amine.
What is the SMILES notation for (3R)-N-ethyl-1,1-dioxo-N-[[(3S)-piperidin-3-yl]methyl]thiolan-3-amine?
The canonical SMILES for (3R)-N-ethyl-1,1-dioxo-N-[[(3S)-piperidin-3-yl]methyl]thiolan-3-amine is CCN(C[C@H]1CCCNC1)[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of (3R)-N-ethyl-1,1-dioxo-N-[[(3S)-piperidin-3-yl]methyl]thiolan-3-amine?
The InChIKey is OCLDYOOVPYGQBX-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-2-14(9-11-4-3-6-13-8-11)12-5-7-17(15,16)10-12/h11-13H,2-10H2,1H3/t11-,12+/m0/s1.
What are the key properties of (3R)-N-ethyl-1,1-dioxo-N-[[(3S)-piperidin-3-yl]methyl]thiolan-3-amine?
(3R)-N-ethyl-1,1-dioxo-N-[[(3S)-piperidin-3-yl]methyl]thiolan-3-amine has a molecular weight of 260.40 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-ethyl-1,1-dioxo-N-[[(3S)-piperidin-3-yl]methyl]thiolan-3-amine is sourced from PubChem (CID 129413675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).