1-cyclopentyl-3-[1-(5-methylthiophen-2-yl)propan-2-ylamino]propan-2-ol

C16H27NOS — CID 103157859

IUPAC1-cyclopentyl-3-[1-(5-methylthiophen-2-yl)propan-2-ylamino]propan-2-ol
SMILESCc1ccc(CC(C)NCC(O)CC2CCCC2)s1
InChIInChI=1S/C16H27NOS/c1-12(9-16-8-7-13(2)19-16)17-11-15(18)10-14-5-3-4-6-14/h7-8,12,14-15,17-18H,3-6,9-11H2,1-2H3
InChIKeyGEGSSNUZZJREDQ-UHFFFAOYSA-N
MW281.46 g/mol
LogP3.52
Rot. Bonds7

About 1-cyclopentyl-3-[1-(5-methylthiophen-2-yl)propan-2-ylamino]propan-2-ol

1-cyclopentyl-3-[1-(5-methylthiophen-2-yl)propan-2-ylamino]propan-2-ol (PubChem CID 103157859) has the molecular formula C16H27NOS and a molecular weight of 281.46 g/mol. Its IUPAC name is 1-cyclopentyl-3-[1-(5-methylthiophen-2-yl)propan-2-ylamino]propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-[1-(5-methylthiophen-2-yl)propan-2-ylamino]propan-2-ol
PubChem CID103157859
Molecular FormulaC16H27NOS
Molecular Weight281.46 g/mol
Exact Mass281.18
IUPAC Name1-cyclopentyl-3-[1-(5-methylthiophen-2-yl)propan-2-ylamino]propan-2-ol
SMILESCc1ccc(CC(C)NCC(O)CC2CCCC2)s1
InChIInChI=1S/C16H27NOS/c1-12(9-16-8-7-13(2)19-16)17-11-15(18)10-14-5-3-4-6-14/h7-8,12,14-15,17-18H,3-6,9-11H2,1-2H3
InChIKeyGEGSSNUZZJREDQ-UHFFFAOYSA-N
XLogP3.52
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.46
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-3-(1-thiophen-2-ylpropan-2-ylamino)propan-2-ol
CID 103157774
1-(5-methylthiophen-2-yl)-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106633990
1-cyclopentyl-3-[1-(4-methylphenoxy)propan-2-ylamino]propan-2-ol
CID 103157412
1-cyclopentyl-3-[1-(5-methylfuran-2-yl)ethylamino]propan-2-ol
CID 103157408
1-cyclopentyl-3-(1-cyclopentylethylamino)propan-2-ol
CID 103157832
N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclopropanamine
CID 103439266
N-[(5-methyloxolan-2-yl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine
CID 82835174
1-cyclopentyl-3-[[(1S)-1-(furan-2-yl)ethyl]amino]propan-2-ol
CID 103158136
1-cyclopentyl-3-(4-ethylsulfanylbutan-2-ylamino)propan-2-ol
CID 103158383
4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclohexane-1,4-diamine
CID 79741971
1-cyclopentyl-3-[4-(dimethylamino)butan-2-ylamino]propan-2-ol
CID 103157536
3-[(3-cyclopentyl-2-hydroxypropyl)amino]butanamide
CID 103158365

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[1-(5-methylthiophen-2-yl)propan-2-ylamino]propan-2-ol?
The IUPAC name of 1-cyclopentyl-3-[1-(5-methylthiophen-2-yl)propan-2-ylamino]propan-2-ol (CID 103157859) is 1-cyclopentyl-3-[1-(5-methylthiophen-2-yl)propan-2-ylamino]propan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-[1-(5-methylthiophen-2-yl)propan-2-ylamino]propan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-[1-(5-methylthiophen-2-yl)propan-2-ylamino]propan-2-ol is Cc1ccc(CC(C)NCC(O)CC2CCCC2)s1.
What is the InChIKey of 1-cyclopentyl-3-[1-(5-methylthiophen-2-yl)propan-2-ylamino]propan-2-ol?
The InChIKey is GEGSSNUZZJREDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NOS/c1-12(9-16-8-7-13(2)19-16)17-11-15(18)10-14-5-3-4-6-14/h7-8,12,14-15,17-18H,3-6,9-11H2,1-2H3.
What are the key properties of 1-cyclopentyl-3-[1-(5-methylthiophen-2-yl)propan-2-ylamino]propan-2-ol?
1-cyclopentyl-3-[1-(5-methylthiophen-2-yl)propan-2-ylamino]propan-2-ol has a molecular weight of 281.46 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[1-(5-methylthiophen-2-yl)propan-2-ylamino]propan-2-ol is sourced from PubChem (CID 103157859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).