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

C9H17NOS — CID 61054223

IUPAC[3-(cyclopropylmethylamino)thiolan-3-yl]methanol
SMILESOCC1(NCC2CC2)CCSC1
InChIInChI=1S/C9H17NOS/c11-6-9(3-4-12-7-9)10-5-8-1-2-8/h8,10-11H,1-7H2
InChIKeyCQCXQIVKZDXLFM-UHFFFAOYSA-N
MW187.31 g/mol
LogP0.85
Rot. Bonds4

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

[3-(cyclopropylmethylamino)thiolan-3-yl]methanol (PubChem CID 61054223) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is [3-(cyclopropylmethylamino)thiolan-3-yl]methanol.

Molecular Properties

Compound Name[3-(cyclopropylmethylamino)thiolan-3-yl]methanol
PubChem CID61054223
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC Name[3-(cyclopropylmethylamino)thiolan-3-yl]methanol
SMILESOCC1(NCC2CC2)CCSC1
InChIInChI=1S/C9H17NOS/c11-6-9(3-4-12-7-9)10-5-8-1-2-8/h8,10-11H,1-7H2
InChIKeyCQCXQIVKZDXLFM-UHFFFAOYSA-N
XLogP0.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-(4-hydroxybutylsulfanylmethyl)pyrrolidin-3-ol
CID 118252721
4-(Cyclopropylsulfanylmethyl)pyrrolidin-3-ol
CID 126749558
[3-(Cyclohexylamino)thiolan-3-yl]methanol
CID 61045268
[3-(Ethylamino)thiolan-3-yl]methanol
CID 61049116
[3-(Propan-2-ylamino)thiolan-3-yl]methanol
CID 61049593
[3-(Butan-2-ylamino)thiolan-3-yl]methanol
CID 61049608
[3-[2-(Diethylamino)ethylamino]thiolan-3-yl]methanol
CID 61050017
[3-[2-(Dimethylamino)ethylamino]thiolan-3-yl]methanol
CID 61053902
[3-(Propylamino)thiolan-3-yl]methanol
CID 61054578
[3-(2-Methylpropylamino)thiolan-3-yl]methanol
CID 61055139
[3-(Cyclopropylamino)thiolan-3-yl]methanol
CID 61055402
[3-(Cyclopentylamino)thiolan-3-yl]methanol
CID 61056789

Frequently Asked Questions

What is the IUPAC name of [3-(cyclopropylmethylamino)thiolan-3-yl]methanol?
The IUPAC name of [3-(cyclopropylmethylamino)thiolan-3-yl]methanol (CID 61054223) is [3-(cyclopropylmethylamino)thiolan-3-yl]methanol.
What is the SMILES notation for [3-(cyclopropylmethylamino)thiolan-3-yl]methanol?
The canonical SMILES for [3-(cyclopropylmethylamino)thiolan-3-yl]methanol is OCC1(NCC2CC2)CCSC1.
What is the InChIKey of [3-(cyclopropylmethylamino)thiolan-3-yl]methanol?
The InChIKey is CQCXQIVKZDXLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS/c11-6-9(3-4-12-7-9)10-5-8-1-2-8/h8,10-11H,1-7H2.
What are the key properties of [3-(cyclopropylmethylamino)thiolan-3-yl]methanol?
[3-(cyclopropylmethylamino)thiolan-3-yl]methanol has a molecular weight of 187.31 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopropylmethylamino)thiolan-3-yl]methanol is sourced from PubChem (CID 61054223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).