(3S)-1-[(3R)-1,1-dioxothiolan-3-yl]piperidin-3-amine

C9H18N2O2S — CID 39225830

IUPAC(3S)-1-[(3R)-1,1-dioxothiolan-3-yl]piperidin-3-amine
SMILESN[C@H]1CCCN([C@@H]2CCS(=O)(=O)C2)C1
InChIInChI=1S/C9H18N2O2S/c10-8-2-1-4-11(6-8)9-3-5-14(12,13)7-9/h8-9H,1-7,10H2/t8-,9+/m0/s1
InChIKeyULMFNSUIXVUPDM-DTWKUNHWSA-N
MW218.32 g/mol
LogP-0.40
Rot. Bonds1

About (3S)-1-[(3R)-1,1-dioxothiolan-3-yl]piperidin-3-amine

(3S)-1-[(3R)-1,1-dioxothiolan-3-yl]piperidin-3-amine (PubChem CID 39225830) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is (3S)-1-[(3R)-1,1-dioxothiolan-3-yl]piperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[(3R)-1,1-dioxothiolan-3-yl]piperidin-3-amine
PubChem CID39225830
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name(3S)-1-[(3R)-1,1-dioxothiolan-3-yl]piperidin-3-amine
SMILESN[C@H]1CCCN([C@@H]2CCS(=O)(=O)C2)C1
InChIInChI=1S/C9H18N2O2S/c10-8-2-1-4-11(6-8)9-3-5-14(12,13)7-9/h8-9H,1-7,10H2/t8-,9+/m0/s1
InChIKeyULMFNSUIXVUPDM-DTWKUNHWSA-N
XLogP-0.40
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-1-[(3R)-1,1-dioxothiolan-3-yl]piperidin-3-amine with MolForge

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Related Compounds

1-(1,1-dioxothiolan-3-yl)piperidin-3-amine
CID 61297087
(3S)-1-(1,1-dioxothiolan-3-yl)piperidin-3-ol
CID 107226058
1-[1-(1,1-dioxothiolan-3-yl)pyrrolidin-3-yl]piperidin-4-amine
CID 80552789
1-cyclobutylpiperidin-3-amine
CID 63935163
1-(1,1-dioxothiolan-3-yl)piperidine-3-carboxylic acid
CID 16637312
3-(3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)thiolane 1,1-dioxide
CID 115824911
1-(1,1-dioxothiolan-3-yl)pyrrolidine-3-carboxamide
CID 117008143
1-(1,1-dioxothiolan-3-yl)-N-methylpyrrolidin-3-amine
CID 43315217
(3-aminopiperidin-1-yl)-(1,1-dioxothiolan-3-yl)methanone
CID 61295519
(3R)-3-morpholin-4-ylthiolane 1,1-dioxide
CID 7072045
3-(3-propyl-1,4-diazepan-1-yl)thiolane 1,1-dioxide
CID 64944268
3-[4-(azetidin-3-yl)piperazin-1-yl]thiolane 1,1-dioxide
CID 66203857

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(3R)-1,1-dioxothiolan-3-yl]piperidin-3-amine?
The IUPAC name of (3S)-1-[(3R)-1,1-dioxothiolan-3-yl]piperidin-3-amine (CID 39225830) is (3S)-1-[(3R)-1,1-dioxothiolan-3-yl]piperidin-3-amine.
What is the SMILES notation for (3S)-1-[(3R)-1,1-dioxothiolan-3-yl]piperidin-3-amine?
The canonical SMILES for (3S)-1-[(3R)-1,1-dioxothiolan-3-yl]piperidin-3-amine is N[C@H]1CCCN([C@@H]2CCS(=O)(=O)C2)C1.
What is the InChIKey of (3S)-1-[(3R)-1,1-dioxothiolan-3-yl]piperidin-3-amine?
The InChIKey is ULMFNSUIXVUPDM-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H18N2O2S/c10-8-2-1-4-11(6-8)9-3-5-14(12,13)7-9/h8-9H,1-7,10H2/t8-,9+/m0/s1.
What are the key properties of (3S)-1-[(3R)-1,1-dioxothiolan-3-yl]piperidin-3-amine?
(3S)-1-[(3R)-1,1-dioxothiolan-3-yl]piperidin-3-amine has a molecular weight of 218.32 g/mol, XLogP of -0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(3R)-1,1-dioxothiolan-3-yl]piperidin-3-amine is sourced from PubChem (CID 39225830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).