1-cyclopentyl-3-(4-ethylsulfanylbutan-2-ylamino)propan-2-ol

C14H29NOS — CID 103158383

IUPAC1-cyclopentyl-3-(4-ethylsulfanylbutan-2-ylamino)propan-2-ol
SMILESCCSCCC(C)NCC(O)CC1CCCC1
InChIInChI=1S/C14H29NOS/c1-3-17-9-8-12(2)15-11-14(16)10-13-6-4-5-7-13/h12-16H,3-11H2,1-2H3
InChIKeyZIFWJIWEMWVOPD-UHFFFAOYSA-N
MW259.46 g/mol
LogP3.05
Rot. Bonds9

About 1-cyclopentyl-3-(4-ethylsulfanylbutan-2-ylamino)propan-2-ol

1-cyclopentyl-3-(4-ethylsulfanylbutan-2-ylamino)propan-2-ol (PubChem CID 103158383) has the molecular formula C14H29NOS and a molecular weight of 259.46 g/mol. Its IUPAC name is 1-cyclopentyl-3-(4-ethylsulfanylbutan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-(4-ethylsulfanylbutan-2-ylamino)propan-2-ol
PubChem CID103158383
Molecular FormulaC14H29NOS
Molecular Weight259.46 g/mol
Exact Mass259.20
IUPAC Name1-cyclopentyl-3-(4-ethylsulfanylbutan-2-ylamino)propan-2-ol
SMILESCCSCCC(C)NCC(O)CC1CCCC1
InChIInChI=1S/C14H29NOS/c1-3-17-9-8-12(2)15-11-14(16)10-13-6-4-5-7-13/h12-16H,3-11H2,1-2H3
InChIKeyZIFWJIWEMWVOPD-UHFFFAOYSA-N
XLogP3.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.46
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cyclopentyl-4-ethylsulfanylbutan-2-ol
CID 116504666
1-cyclopentyl-3-[4-(dimethylamino)butan-2-ylamino]propan-2-ol
CID 103157536
1-cyclopentyl-3-(1-cyclopentylethylamino)propan-2-ol
CID 103157832
3-[(3-cyclopentyl-2-hydroxypropyl)amino]butanamide
CID 103158365
1-(but-3-en-2-ylamino)-3-cyclopentylpropan-2-ol
CID 103158328
2-[(3-cyclopentyl-2-hydroxypropyl)amino]butan-1-ol
CID 103157267
1-cyclopentyl-3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]propan-2-ol
CID 103157490
1-cyclopentyl-3-[1-(5-methylthiophen-2-yl)propan-2-ylamino]propan-2-ol
CID 103157859
1-cyclopentyl-3-(1-thiophen-2-ylpropan-2-ylamino)propan-2-ol
CID 103157774
3-[(3-cyclopentyl-2-hydroxypropyl)amino]-2-methylsulfanylbutan-1-ol
CID 106160676
1-cyclopentyl-3-[1-(4-methylphenoxy)propan-2-ylamino]propan-2-ol
CID 103157412
1-cyclopentyl-4-methylsulfanylbutan-2-ol
CID 65148807

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(4-ethylsulfanylbutan-2-ylamino)propan-2-ol?
The IUPAC name of 1-cyclopentyl-3-(4-ethylsulfanylbutan-2-ylamino)propan-2-ol (CID 103158383) is 1-cyclopentyl-3-(4-ethylsulfanylbutan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-(4-ethylsulfanylbutan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-(4-ethylsulfanylbutan-2-ylamino)propan-2-ol is CCSCCC(C)NCC(O)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(4-ethylsulfanylbutan-2-ylamino)propan-2-ol?
The InChIKey is ZIFWJIWEMWVOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NOS/c1-3-17-9-8-12(2)15-11-14(16)10-13-6-4-5-7-13/h12-16H,3-11H2,1-2H3.
What are the key properties of 1-cyclopentyl-3-(4-ethylsulfanylbutan-2-ylamino)propan-2-ol?
1-cyclopentyl-3-(4-ethylsulfanylbutan-2-ylamino)propan-2-ol has a molecular weight of 259.46 g/mol, XLogP of 3.05, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(4-ethylsulfanylbutan-2-ylamino)propan-2-ol is sourced from PubChem (CID 103158383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).