1-(cyclopropylmethoxy)-3-(thian-4-ylamino)propan-2-ol

C12H23NO2S — CID 110911162

IUPAC1-(cyclopropylmethoxy)-3-(thian-4-ylamino)propan-2-ol
SMILESOC(CNC1CCSCC1)COCC1CC1
InChIInChI=1S/C12H23NO2S/c14-12(9-15-8-10-1-2-10)7-13-11-3-5-16-6-4-11/h10-14H,1-9H2
InChIKeyMEKCBMAJVBJXLN-UHFFFAOYSA-N
MW245.39 g/mol
LogP1.26
Rot. Bonds7

About 1-(cyclopropylmethoxy)-3-(thian-4-ylamino)propan-2-ol

1-(cyclopropylmethoxy)-3-(thian-4-ylamino)propan-2-ol (PubChem CID 110911162) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is 1-(cyclopropylmethoxy)-3-(thian-4-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylmethoxy)-3-(thian-4-ylamino)propan-2-ol
PubChem CID110911162
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC Name1-(cyclopropylmethoxy)-3-(thian-4-ylamino)propan-2-ol
SMILESOC(CNC1CCSCC1)COCC1CC1
InChIInChI=1S/C12H23NO2S/c14-12(9-15-8-10-1-2-10)7-13-11-3-5-16-6-4-11/h10-14H,1-9H2
InChIKeyMEKCBMAJVBJXLN-UHFFFAOYSA-N
XLogP1.26
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(cyclopropylmethoxy)-3-(thian-4-ylamino)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(cyclopropylmethoxy)-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol
CID 60909850
1-(cyclopropylmethoxy)-3-[(3,4-dimethylcyclohexyl)amino]propan-2-ol
CID 64742863
1-ethoxy-3-(thiolan-3-ylamino)propan-2-ol
CID 103785705
1-(cyclopropylmethoxy)-3-[(1,2-dimethylpiperidin-4-yl)amino]propan-2-ol
CID 81334318
1-cyclopentyloxy-3-(thiolan-3-ylamino)propan-2-ol
CID 103062838
1-(cyclopropylamino)-3-ethoxypropan-2-ol
CID 43166145
1-octoxy-3-(thiolan-3-ylamino)propan-2-ol
CID 103062780
1-(cyclopropylmethoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 60633025
1-(cyclopropylmethoxy)-3-[(2-ethylcyclohexyl)amino]propan-2-ol
CID 54955680
1-cycloheptyl-3-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea
CID 97080512
1-(cyclopropylmethoxy)-3-[(2-methoxycyclopentyl)amino]propan-2-ol
CID 62086788
1-butoxy-3-[(4-ethylcyclohexyl)amino]propan-2-ol
CID 107262664

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethoxy)-3-(thian-4-ylamino)propan-2-ol?
The IUPAC name of 1-(cyclopropylmethoxy)-3-(thian-4-ylamino)propan-2-ol (CID 110911162) is 1-(cyclopropylmethoxy)-3-(thian-4-ylamino)propan-2-ol.
What is the SMILES notation for 1-(cyclopropylmethoxy)-3-(thian-4-ylamino)propan-2-ol?
The canonical SMILES for 1-(cyclopropylmethoxy)-3-(thian-4-ylamino)propan-2-ol is OC(CNC1CCSCC1)COCC1CC1.
What is the InChIKey of 1-(cyclopropylmethoxy)-3-(thian-4-ylamino)propan-2-ol?
The InChIKey is MEKCBMAJVBJXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c14-12(9-15-8-10-1-2-10)7-13-11-3-5-16-6-4-11/h10-14H,1-9H2.
What are the key properties of 1-(cyclopropylmethoxy)-3-(thian-4-ylamino)propan-2-ol?
1-(cyclopropylmethoxy)-3-(thian-4-ylamino)propan-2-ol has a molecular weight of 245.39 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethoxy)-3-(thian-4-ylamino)propan-2-ol is sourced from PubChem (CID 110911162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).