3-[5-[(1S,2S)-2-[(4-aminocyclohexyl)amino]cyclopropyl]thiophen-2-yl]phenol

C19H24N2OS — CID 90395388

IUPAC3-[5-[(1S,2S)-2-[(4-aminocyclohexyl)amino]cyclopropyl]thiophen-2-yl]phenol
SMILESNC1CCC(N[C@H]2C[C@@H]2c2ccc(-c3cccc(O)c3)s2)CC1
InChIInChI=1S/C19H24N2OS/c20-13-4-6-14(7-5-13)21-17-11-16(17)19-9-8-18(23-19)12-2-1-3-15(22)10-12/h1-3,8-10,13-14,16-17,21-22H,4-7,11,20H2/t13?,14?,16-,17-/m0/s1
InChIKeySJYSQOJGPMLVJQ-LCSXWQTCSA-N
MW328.48 g/mol
LogP3.84
Rot. Bonds4

About 3-[5-[(1S,2S)-2-[(4-aminocyclohexyl)amino]cyclopropyl]thiophen-2-yl]phenol

3-[5-[(1S,2S)-2-[(4-aminocyclohexyl)amino]cyclopropyl]thiophen-2-yl]phenol (PubChem CID 90395388) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is 3-[5-[(1S,2S)-2-[(4-aminocyclohexyl)amino]cyclopropyl]thiophen-2-yl]phenol.

Molecular Properties

Compound Name3-[5-[(1S,2S)-2-[(4-aminocyclohexyl)amino]cyclopropyl]thiophen-2-yl]phenol
PubChem CID90395388
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC Name3-[5-[(1S,2S)-2-[(4-aminocyclohexyl)amino]cyclopropyl]thiophen-2-yl]phenol
SMILESNC1CCC(N[C@H]2C[C@@H]2c2ccc(-c3cccc(O)c3)s2)CC1
InChIInChI=1S/C19H24N2OS/c20-13-4-6-14(7-5-13)21-17-11-16(17)19-9-8-18(23-19)12-2-1-3-15(22)10-12/h1-3,8-10,13-14,16-17,21-22H,4-7,11,20H2/t13?,14?,16-,17-/m0/s1
InChIKeySJYSQOJGPMLVJQ-LCSXWQTCSA-N
XLogP3.84
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[5-[(1S,2S)-2-[(4-aminocyclohexyl)amino]cyclopropyl]thiophen-2-yl]phenol with MolForge

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Related Compounds

4-[6-(3-phenylpropylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]phenol
CID 156021874
US9676701, 113 3-(5-((trans)-2-aminocyclopropyl)thiophen-2-yl)phenol trihydrochloride
CID 56650939
N-Despropyl-rotigotine
CID 15107528
3-{4H,5H,6H,7H-thieno[3,2-c]pyridin-4-yl}phenol
CID 165477685
(6S)-6-(1-thiophen-2-ylpentan-2-ylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 67238886
(S)-6-((2-(Thiophen-2-yl)ethyl)amino)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 71080830
2-[[[(1S,2S)-1-phenyl-2-thiophen-2-ylbut-3-enyl]amino]methyl]phenol
CID 24864412
3-Fluoro-5-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]phenol
CID 116448495
3-[[[Cyclopentyl(thiophen-2-yl)methyl]amino]methyl]-5-fluorophenol
CID 116448572
3-Fluoro-5-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]phenol
CID 116448775
3-Fluoro-5-[(1-thiophen-2-ylbutylamino)methyl]phenol
CID 116448782
3-Fluoro-5-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]phenol
CID 116448931

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(1S,2S)-2-[(4-aminocyclohexyl)amino]cyclopropyl]thiophen-2-yl]phenol?
The IUPAC name of 3-[5-[(1S,2S)-2-[(4-aminocyclohexyl)amino]cyclopropyl]thiophen-2-yl]phenol (CID 90395388) is 3-[5-[(1S,2S)-2-[(4-aminocyclohexyl)amino]cyclopropyl]thiophen-2-yl]phenol.
What is the SMILES notation for 3-[5-[(1S,2S)-2-[(4-aminocyclohexyl)amino]cyclopropyl]thiophen-2-yl]phenol?
The canonical SMILES for 3-[5-[(1S,2S)-2-[(4-aminocyclohexyl)amino]cyclopropyl]thiophen-2-yl]phenol is NC1CCC(N[C@H]2C[C@@H]2c2ccc(-c3cccc(O)c3)s2)CC1.
What is the InChIKey of 3-[5-[(1S,2S)-2-[(4-aminocyclohexyl)amino]cyclopropyl]thiophen-2-yl]phenol?
The InChIKey is SJYSQOJGPMLVJQ-LCSXWQTCSA-N. The full InChI is InChI=1S/C19H24N2OS/c20-13-4-6-14(7-5-13)21-17-11-16(17)19-9-8-18(23-19)12-2-1-3-15(22)10-12/h1-3,8-10,13-14,16-17,21-22H,4-7,11,20H2/t13?,14?,16-,17-/m0/s1.
What are the key properties of 3-[5-[(1S,2S)-2-[(4-aminocyclohexyl)amino]cyclopropyl]thiophen-2-yl]phenol?
3-[5-[(1S,2S)-2-[(4-aminocyclohexyl)amino]cyclopropyl]thiophen-2-yl]phenol has a molecular weight of 328.48 g/mol, XLogP of 3.84, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(1S,2S)-2-[(4-aminocyclohexyl)amino]cyclopropyl]thiophen-2-yl]phenol is sourced from PubChem (CID 90395388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).