3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(methylamino)propan-1-ol

C13H25NOS — CID 64805519

IUPAC3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(methylamino)propan-1-ol
SMILESCNC(CO)(CSCC1CCCC1)C1CC1
InChIInChI=1S/C13H25NOS/c1-14-13(9-15,12-6-7-12)10-16-8-11-4-2-3-5-11/h11-12,14-15H,2-10H2,1H3
InChIKeyCHUBTRRZKVBCTO-UHFFFAOYSA-N
MW243.42 g/mol
LogP2.27
Rot. Bonds7

About 3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(methylamino)propan-1-ol

3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(methylamino)propan-1-ol (PubChem CID 64805519) has the molecular formula C13H25NOS and a molecular weight of 243.42 g/mol. Its IUPAC name is 3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(methylamino)propan-1-ol.

Molecular Properties

Compound Name3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(methylamino)propan-1-ol
PubChem CID64805519
Molecular FormulaC13H25NOS
Molecular Weight243.42 g/mol
Exact Mass243.17
IUPAC Name3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(methylamino)propan-1-ol
SMILESCNC(CO)(CSCC1CCCC1)C1CC1
InChIInChI=1S/C13H25NOS/c1-14-13(9-15,12-6-7-12)10-16-8-11-4-2-3-5-11/h11-12,14-15H,2-10H2,1H3
InChIKeyCHUBTRRZKVBCTO-UHFFFAOYSA-N
XLogP2.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-3-(3-methoxypropylsulfanyl)-2-(methylamino)propan-1-ol
CID 64807175
methyl 3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(methylamino)propanoate
CID 63921449
2-cyclopropyl-2-(ethylamino)-3-ethylsulfanylpropan-1-ol
CID 64818609
2-amino-3-(cyclopentylmethylsulfanyl)-2-cyclopropylpropan-1-ol
CID 64806558
2-cyclopropyl-2-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)propan-1-ol
CID 107764771
2-cyclopropyl-2-(propylamino)-3-propylsulfanylpropan-1-ol
CID 64819951
2-cyclopropyl-2-(ethylamino)-3-(2-methylpropylsulfanyl)propan-1-ol
CID 64820599
2-cyclopropyl-3-(2-methylpropylsulfanyl)-2-(propan-2-ylamino)propan-1-ol
CID 64819239
2-cyclopropyl-2-(methylamino)-3-(2-methylfuran-3-yl)sulfanylpropan-1-ol
CID 107784660
2-cyclopropyl-2-(methylamino)-3-(2-methyloxolan-3-yl)sulfanylpropan-1-ol
CID 107764630
3-(4-tert-butylphenyl)sulfanyl-2-cyclopropyl-2-(methylamino)propan-1-ol
CID 64807451
2-cyclopropyl-2-(ethylamino)-3-pentylsulfanylpropan-1-ol
CID 107764647

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(methylamino)propan-1-ol?
The IUPAC name of 3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(methylamino)propan-1-ol (CID 64805519) is 3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(methylamino)propan-1-ol.
What is the SMILES notation for 3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(methylamino)propan-1-ol?
The canonical SMILES for 3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(methylamino)propan-1-ol is CNC(CO)(CSCC1CCCC1)C1CC1.
What is the InChIKey of 3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(methylamino)propan-1-ol?
The InChIKey is CHUBTRRZKVBCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NOS/c1-14-13(9-15,12-6-7-12)10-16-8-11-4-2-3-5-11/h11-12,14-15H,2-10H2,1H3.
What are the key properties of 3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(methylamino)propan-1-ol?
3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(methylamino)propan-1-ol has a molecular weight of 243.42 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(methylamino)propan-1-ol is sourced from PubChem (CID 64805519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).