[3-(cycloheptylamino)thiolan-3-yl]methanol

C12H23NOS — CID 61055550

IUPAC[3-(cycloheptylamino)thiolan-3-yl]methanol
SMILESOCC1(NC2CCCCCC2)CCSC1
InChIInChI=1S/C12H23NOS/c14-9-12(7-8-15-10-12)13-11-5-3-1-2-4-6-11/h11,13-14H,1-10H2
InChIKeyJXDBDNRDTAZBAF-UHFFFAOYSA-N
MW229.39 g/mol
LogP2.17
Rot. Bonds3

About [3-(cycloheptylamino)thiolan-3-yl]methanol

[3-(cycloheptylamino)thiolan-3-yl]methanol (PubChem CID 61055550) has the molecular formula C12H23NOS and a molecular weight of 229.39 g/mol. Its IUPAC name is [3-(cycloheptylamino)thiolan-3-yl]methanol.

Molecular Properties

Compound Name[3-(cycloheptylamino)thiolan-3-yl]methanol
PubChem CID61055550
Molecular FormulaC12H23NOS
Molecular Weight229.39 g/mol
Exact Mass229.15
IUPAC Name[3-(cycloheptylamino)thiolan-3-yl]methanol
SMILESOCC1(NC2CCCCCC2)CCSC1
InChIInChI=1S/C12H23NOS/c14-9-12(7-8-15-10-12)13-11-5-3-1-2-4-6-11/h11,13-14H,1-10H2
InChIKeyJXDBDNRDTAZBAF-UHFFFAOYSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(Cyclohexylamino)thiolan-3-yl]methanol
CID 61045268
[3-(Propan-2-ylamino)thiolan-3-yl]methanol
CID 61049593
[3-(Butan-2-ylamino)thiolan-3-yl]methanol
CID 61049608
[3-(Propylamino)thiolan-3-yl]methanol
CID 61054578
2-(Cycloheptylamino)-4-methylsulfanylbutan-1-ol
CID 61055559
[3-(Cyclopentylamino)thiolan-3-yl]methanol
CID 61056789
[4-(Cycloheptylamino)thian-4-yl]methanol
CID 61338167
[4-(Cyclopentylamino)thian-4-yl]methanol
CID 61338168
[3-(Cycloheptylamino)thian-3-yl]methanol
CID 62872218
[3-(Cycloheptylamino)-1,1-dioxothiolan-3-yl]methanol
CID 63165951
4-Cyclopentylsulfanyl-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64806341
6-Cyclopentylsulfanyl-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64806764

Frequently Asked Questions

What is the IUPAC name of [3-(cycloheptylamino)thiolan-3-yl]methanol?
The IUPAC name of [3-(cycloheptylamino)thiolan-3-yl]methanol (CID 61055550) is [3-(cycloheptylamino)thiolan-3-yl]methanol.
What is the SMILES notation for [3-(cycloheptylamino)thiolan-3-yl]methanol?
The canonical SMILES for [3-(cycloheptylamino)thiolan-3-yl]methanol is OCC1(NC2CCCCCC2)CCSC1.
What is the InChIKey of [3-(cycloheptylamino)thiolan-3-yl]methanol?
The InChIKey is JXDBDNRDTAZBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NOS/c14-9-12(7-8-15-10-12)13-11-5-3-1-2-4-6-11/h11,13-14H,1-10H2.
What are the key properties of [3-(cycloheptylamino)thiolan-3-yl]methanol?
[3-(cycloheptylamino)thiolan-3-yl]methanol has a molecular weight of 229.39 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cycloheptylamino)thiolan-3-yl]methanol is sourced from PubChem (CID 61055550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).