(2S,5R)-5-(aminomethyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]oxolane-2-carboxamide

C17H26N2O2S — CID 120794566

IUPAC(2S,5R)-5-(aminomethyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)NCC2(c3cccs3)CCCCC2)O1
InChIInChI=1S/C17H26N2O2S/c18-11-13-6-7-14(21-13)16(20)19-12-17(8-2-1-3-9-17)15-5-4-10-22-15/h4-5,10,13-14H,1-3,6-9,11-12,18H2,(H,19,20)/t13-,14+/m1/s1
InChIKeyLYYXVEDIUHWEBM-KGLIPLIRSA-N
MW322.47 g/mol
LogP2.57
Rot. Bonds5

About (2S,5R)-5-(aminomethyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]oxolane-2-carboxamide (PubChem CID 120794566) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]oxolane-2-carboxamide
PubChem CID120794566
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)NCC2(c3cccs3)CCCCC2)O1
InChIInChI=1S/C17H26N2O2S/c18-11-13-6-7-14(21-13)16(20)19-12-17(8-2-1-3-9-17)15-5-4-10-22-15/h4-5,10,13-14H,1-3,6-9,11-12,18H2,(H,19,20)/t13-,14+/m1/s1
InChIKeyLYYXVEDIUHWEBM-KGLIPLIRSA-N
XLogP2.57
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,5R)-5-(aminomethyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]oxolane-2-carboxamide with MolForge

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-[(1-phenylcyclopropyl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120785201
(2S,5R)-5-(aminomethyl)-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]oxolane-2-carboxamide;hydrochloride
CID 120789787
(2S,5R)-5-(aminomethyl)-N-[[1-(3-methylphenyl)cyclohexyl]methyl]oxolane-2-carboxamide
CID 120788388
(2S,5R)-5-(aminomethyl)-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]oxolane-2-carboxamide
CID 120789842
(2S)-5-oxo-N-[(1-thiophen-2-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide
CID 94221439
1-(4-hydroxycyclohexyl)-3-[(1-thiophen-2-ylcyclohexyl)methyl]urea
CID 111440825
1-cyclohexyl-3-[(1-thiophen-2-ylcyclopropyl)methyl]urea
CID 30522444
5-(aminomethyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]oxolane-2-carboxamide
CID 83110105
(2S,5R)-5-(aminomethyl)-N-[(1-methylcyclopentyl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120792797
N-[(1-thiophen-2-ylcyclohexyl)methyl]morpholine-3-carboxamide
CID 119799168
2-amino-2-(oxan-4-yl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]acetamide
CID 120794568
1-[[[5-(aminomethyl)oxolane-2-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115450789

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]oxolane-2-carboxamide (CID 120794566) is (2S,5R)-5-(aminomethyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]oxolane-2-carboxamide is NC[C@H]1CC[C@@H](C(=O)NCC2(c3cccs3)CCCCC2)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]oxolane-2-carboxamide?
The InChIKey is LYYXVEDIUHWEBM-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H26N2O2S/c18-11-13-6-7-14(21-13)16(20)19-12-17(8-2-1-3-9-17)15-5-4-10-22-15/h4-5,10,13-14H,1-3,6-9,11-12,18H2,(H,19,20)/t13-,14+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]oxolane-2-carboxamide has a molecular weight of 322.47 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]oxolane-2-carboxamide is sourced from PubChem (CID 120794566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).