(3R)-3-[[(3R)-thiolan-3-yl]amino]azepan-2-one

C10H18N2OS — CID 30982772

IUPAC(3R)-3-[[(3R)-thiolan-3-yl]amino]azepan-2-one
SMILESO=C1NCCCC[C@H]1N[C@@H]1CCSC1
InChIInChI=1S/C10H18N2OS/c13-10-9(3-1-2-5-11-10)12-8-4-6-14-7-8/h8-9,12H,1-7H2,(H,11,13)/t8-,9-/m1/s1
InChIKeyHIPDETOMFCSCNX-RKDXNWHRSA-N
MW214.33 g/mol
LogP0.75
Rot. Bonds2

About (3R)-3-[[(3R)-thiolan-3-yl]amino]azepan-2-one

(3R)-3-[[(3R)-thiolan-3-yl]amino]azepan-2-one (PubChem CID 30982772) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is (3R)-3-[[(3R)-thiolan-3-yl]amino]azepan-2-one.

Molecular Properties

Compound Name(3R)-3-[[(3R)-thiolan-3-yl]amino]azepan-2-one
PubChem CID30982772
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name(3R)-3-[[(3R)-thiolan-3-yl]amino]azepan-2-one
SMILESO=C1NCCCC[C@H]1N[C@@H]1CCSC1
InChIInChI=1S/C10H18N2OS/c13-10-9(3-1-2-5-11-10)12-8-4-6-14-7-8/h8-9,12H,1-7H2,(H,11,13)/t8-,9-/m1/s1
InChIKeyHIPDETOMFCSCNX-RKDXNWHRSA-N
XLogP0.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-methylazetidin-3-yl)amino]azepan-2-one
CID 127013470
(3R)-3-[[(1R,3S)-3-methylcyclohexyl]amino]azepan-2-one
CID 40501731
3-(2,3-dihydro-1H-inden-2-ylamino)azepan-2-one
CID 3844156
3-(oxepan-4-ylamino)azepan-2-one
CID 65081835
3-[(3,4-dimethylcyclohexyl)amino]azepan-2-one
CID 64734523
3-[(1,1-dioxothian-3-yl)amino]azepan-2-one
CID 63910098
3-[(1,1-dioxothian-4-yl)amino]piperidin-2-one
CID 62093934
3-[(3,5-dimethylcyclohexyl)amino]piperidin-2-one
CID 64751431
3-[(3-methoxycyclohexyl)amino]azepan-2-one
CID 113285842
N-[(3S)-2-oxoazepan-3-yl]methanesulfonamide
CID 94061079
3-[(4-tert-butylcyclohexyl)amino]piperidin-2-one
CID 62092650
3-[(3-methylcyclohexyl)amino]piperidin-2-one
CID 62092837

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[(3R)-thiolan-3-yl]amino]azepan-2-one?
The IUPAC name of (3R)-3-[[(3R)-thiolan-3-yl]amino]azepan-2-one (CID 30982772) is (3R)-3-[[(3R)-thiolan-3-yl]amino]azepan-2-one.
What is the SMILES notation for (3R)-3-[[(3R)-thiolan-3-yl]amino]azepan-2-one?
The canonical SMILES for (3R)-3-[[(3R)-thiolan-3-yl]amino]azepan-2-one is O=C1NCCCC[C@H]1N[C@@H]1CCSC1.
What is the InChIKey of (3R)-3-[[(3R)-thiolan-3-yl]amino]azepan-2-one?
The InChIKey is HIPDETOMFCSCNX-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H18N2OS/c13-10-9(3-1-2-5-11-10)12-8-4-6-14-7-8/h8-9,12H,1-7H2,(H,11,13)/t8-,9-/m1/s1.
What are the key properties of (3R)-3-[[(3R)-thiolan-3-yl]amino]azepan-2-one?
(3R)-3-[[(3R)-thiolan-3-yl]amino]azepan-2-one has a molecular weight of 214.33 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[(3R)-thiolan-3-yl]amino]azepan-2-one is sourced from PubChem (CID 30982772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).