3-[(3-cyclopentyl-2-hydroxypropyl)amino]-2-methylsulfanylbutan-1-ol

C13H27NO2S — CID 106160676

IUPAC3-[(3-cyclopentyl-2-hydroxypropyl)amino]-2-methylsulfanylbutan-1-ol
SMILESCSC(CO)C(C)NCC(O)CC1CCCC1
InChIInChI=1S/C13H27NO2S/c1-10(13(9-15)17-2)14-8-12(16)7-11-5-3-4-6-11/h10-16H,3-9H2,1-2H3
InChIKeySGJLNHAGJLJVKA-UHFFFAOYSA-N
MW261.43 g/mol
LogP1.63
Rot. Bonds8

About 3-[(3-cyclopentyl-2-hydroxypropyl)amino]-2-methylsulfanylbutan-1-ol

3-[(3-cyclopentyl-2-hydroxypropyl)amino]-2-methylsulfanylbutan-1-ol (PubChem CID 106160676) has the molecular formula C13H27NO2S and a molecular weight of 261.43 g/mol. Its IUPAC name is 3-[(3-cyclopentyl-2-hydroxypropyl)amino]-2-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name3-[(3-cyclopentyl-2-hydroxypropyl)amino]-2-methylsulfanylbutan-1-ol
PubChem CID106160676
Molecular FormulaC13H27NO2S
Molecular Weight261.43 g/mol
Exact Mass261.18
IUPAC Name3-[(3-cyclopentyl-2-hydroxypropyl)amino]-2-methylsulfanylbutan-1-ol
SMILESCSC(CO)C(C)NCC(O)CC1CCCC1
InChIInChI=1S/C13H27NO2S/c1-10(13(9-15)17-2)14-8-12(16)7-11-5-3-4-6-11/h10-16H,3-9H2,1-2H3
InChIKeySGJLNHAGJLJVKA-UHFFFAOYSA-N
XLogP1.63
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2S)-2-hydroxypropyl]amino]-2-methylsulfanylbutan-1-ol
CID 106160798
1-cyclopentyl-3-(1-cyclopentylethylamino)propan-2-ol
CID 103157832
2-[(3-cyclopentyl-2-hydroxypropyl)amino]butan-1-ol
CID 103157267
1-(but-3-en-2-ylamino)-3-cyclopentylpropan-2-ol
CID 103158328
3-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]-2-methylsulfanylbutan-1-ol
CID 106160886
1-cyclopentyl-3-hydrazinylpropan-2-ol
CID 103156923
1-cyclopentyl-3-(4-ethylsulfanylbutan-2-ylamino)propan-2-ol
CID 103158383
3-(2,2-dimethoxyethylamino)-2-methylsulfanylbutan-1-ol
CID 106158604
3-[(3-cyclopentyl-2-hydroxypropyl)amino]butanamide
CID 103158365
1-cyclopentyl-3-[4-(dimethylamino)butan-2-ylamino]propan-2-ol
CID 103157536
1-cyclopentyl-3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]propan-2-ol
CID 103157490
2-cyclopropyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
CID 103801532

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclopentyl-2-hydroxypropyl)amino]-2-methylsulfanylbutan-1-ol?
The IUPAC name of 3-[(3-cyclopentyl-2-hydroxypropyl)amino]-2-methylsulfanylbutan-1-ol (CID 106160676) is 3-[(3-cyclopentyl-2-hydroxypropyl)amino]-2-methylsulfanylbutan-1-ol.
What is the SMILES notation for 3-[(3-cyclopentyl-2-hydroxypropyl)amino]-2-methylsulfanylbutan-1-ol?
The canonical SMILES for 3-[(3-cyclopentyl-2-hydroxypropyl)amino]-2-methylsulfanylbutan-1-ol is CSC(CO)C(C)NCC(O)CC1CCCC1.
What is the InChIKey of 3-[(3-cyclopentyl-2-hydroxypropyl)amino]-2-methylsulfanylbutan-1-ol?
The InChIKey is SGJLNHAGJLJVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2S/c1-10(13(9-15)17-2)14-8-12(16)7-11-5-3-4-6-11/h10-16H,3-9H2,1-2H3.
What are the key properties of 3-[(3-cyclopentyl-2-hydroxypropyl)amino]-2-methylsulfanylbutan-1-ol?
3-[(3-cyclopentyl-2-hydroxypropyl)amino]-2-methylsulfanylbutan-1-ol has a molecular weight of 261.43 g/mol, XLogP of 1.63, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclopentyl-2-hydroxypropyl)amino]-2-methylsulfanylbutan-1-ol is sourced from PubChem (CID 106160676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).