[(1R,3S)-1-amino-3-(5-octylthiophen-2-yl)cyclopentyl]methanol

C18H31NOS — CID 46853547

IUPAC[(1R,3S)-1-amino-3-(5-octylthiophen-2-yl)cyclopentyl]methanol
SMILESCCCCCCCCc1ccc([C@H]2CC[C@](N)(CO)C2)s1
InChIInChI=1S/C18H31NOS/c1-2-3-4-5-6-7-8-16-9-10-17(21-16)15-11-12-18(19,13-15)14-20/h9-10,15,20H,2-8,11-14,19H2,1H3/t15-,18+/m0/s1
InChIKeyUABBOESZKHVGIY-MAUKXSAKSA-N
MW309.52 g/mol
LogP4.61
Rot. Bonds9

About [(1R,3S)-1-amino-3-(5-octylthiophen-2-yl)cyclopentyl]methanol

[(1R,3S)-1-amino-3-(5-octylthiophen-2-yl)cyclopentyl]methanol (PubChem CID 46853547) has the molecular formula C18H31NOS and a molecular weight of 309.52 g/mol. Its IUPAC name is [(1R,3S)-1-amino-3-(5-octylthiophen-2-yl)cyclopentyl]methanol.

Molecular Properties

Compound Name[(1R,3S)-1-amino-3-(5-octylthiophen-2-yl)cyclopentyl]methanol
PubChem CID46853547
Molecular FormulaC18H31NOS
Molecular Weight309.52 g/mol
Exact Mass309.21
IUPAC Name[(1R,3S)-1-amino-3-(5-octylthiophen-2-yl)cyclopentyl]methanol
SMILESCCCCCCCCc1ccc([C@H]2CC[C@](N)(CO)C2)s1
InChIInChI=1S/C18H31NOS/c1-2-3-4-5-6-7-8-16-9-10-17(21-16)15-11-12-18(19,13-15)14-20/h9-10,15,20H,2-8,11-14,19H2,1H3/t15-,18+/m0/s1
InChIKeyUABBOESZKHVGIY-MAUKXSAKSA-N
XLogP4.61
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.52
LogP ≤ 54.61
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

[(1R,3S)-1-amino-3-[5-(4-phenylbutyl)thiophen-2-yl]cyclopentyl]methanol
CID 46853562
[(3S)-1-amino-3-(4-octylphenyl)cyclopentyl]methanol
CID 25009740
[1-amino-3-(4-octylphenyl)cyclohexyl]methanol
CID 68937152
[(1S,3R)-1-amino-3-(4-heptoxyphenyl)cyclopentyl]methanol
CID 68940187
2,5-diheptylthiophene
CID 607114
tripotassium;[1-amino-3-(3-hexyl-4,5-dihydrobenzo[g][2,1]benzoxazol-7-yl)cyclopentyl]methanol;phosphanide
CID 158428179
[(1S,3R)-1-amino-3-(4-hex-1-ynylphenyl)cyclopentyl]methanol
CID 68941625
[(1S,3R)-1-amino-3-phenylcyclopentyl]methanol
CID 67361364
(E)-3-(5-heptylthiophen-2-yl)prop-2-enoic acid
CID 15919237
[(1S,3S)-1-amino-3-(6-pentoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol
CID 118877560
[(1R,3S)-1-amino-3-(2-hexoxy-4,5-dihydrobenzo[g][1,3]benzothiazol-7-yl)cyclopentyl]methanol
CID 134319607
2-dodecyl-5-ethylthiophene
CID 528251

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-1-amino-3-(5-octylthiophen-2-yl)cyclopentyl]methanol?
The IUPAC name of [(1R,3S)-1-amino-3-(5-octylthiophen-2-yl)cyclopentyl]methanol (CID 46853547) is [(1R,3S)-1-amino-3-(5-octylthiophen-2-yl)cyclopentyl]methanol.
What is the SMILES notation for [(1R,3S)-1-amino-3-(5-octylthiophen-2-yl)cyclopentyl]methanol?
The canonical SMILES for [(1R,3S)-1-amino-3-(5-octylthiophen-2-yl)cyclopentyl]methanol is CCCCCCCCc1ccc([C@H]2CC[C@](N)(CO)C2)s1.
What is the InChIKey of [(1R,3S)-1-amino-3-(5-octylthiophen-2-yl)cyclopentyl]methanol?
The InChIKey is UABBOESZKHVGIY-MAUKXSAKSA-N. The full InChI is InChI=1S/C18H31NOS/c1-2-3-4-5-6-7-8-16-9-10-17(21-16)15-11-12-18(19,13-15)14-20/h9-10,15,20H,2-8,11-14,19H2,1H3/t15-,18+/m0/s1.
What are the key properties of [(1R,3S)-1-amino-3-(5-octylthiophen-2-yl)cyclopentyl]methanol?
[(1R,3S)-1-amino-3-(5-octylthiophen-2-yl)cyclopentyl]methanol has a molecular weight of 309.52 g/mol, XLogP of 4.61, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-1-amino-3-(5-octylthiophen-2-yl)cyclopentyl]methanol is sourced from PubChem (CID 46853547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).