(2R,3R,4S)-2-[(thiophen-2-ylmethylamino)methyl]pyrrolidine-3,4-diol

C10H16N2O2S — CID 10988011

IUPAC(2R,3R,4S)-2-[(thiophen-2-ylmethylamino)methyl]pyrrolidine-3,4-diol
SMILESO[C@H]1[C@@H](O)CN[C@@H]1CNCc1cccs1
InChIInChI=1S/C10H16N2O2S/c13-9-6-12-8(10(9)14)5-11-4-7-2-1-3-15-7/h1-3,8-14H,4-6H2/t8-,9+,10-/m1/s1
InChIKeyOKMVGPCMRNTUSN-KXUCPTDWSA-N
MW228.32 g/mol
LogP-0.47
Rot. Bonds4

About (2R,3R,4S)-2-[(thiophen-2-ylmethylamino)methyl]pyrrolidine-3,4-diol

(2R,3R,4S)-2-[(thiophen-2-ylmethylamino)methyl]pyrrolidine-3,4-diol (PubChem CID 10988011) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is (2R,3R,4S)-2-[(thiophen-2-ylmethylamino)methyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S)-2-[(thiophen-2-ylmethylamino)methyl]pyrrolidine-3,4-diol
PubChem CID10988011
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name(2R,3R,4S)-2-[(thiophen-2-ylmethylamino)methyl]pyrrolidine-3,4-diol
SMILESO[C@H]1[C@@H](O)CN[C@@H]1CNCc1cccs1
InChIInChI=1S/C10H16N2O2S/c13-9-6-12-8(10(9)14)5-11-4-7-2-1-3-15-7/h1-3,8-14H,4-6H2/t8-,9+,10-/m1/s1
InChIKeyOKMVGPCMRNTUSN-KXUCPTDWSA-N
XLogP-0.47
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 5-0.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R,4S)-2-[(2-thiophen-2-ylethylamino)methyl]pyrrolidine-3,4-diol
CID 11139304
N-(cyclopropylmethyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61151130
2-(azetidin-3-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 116679496
4-[(thiophen-2-ylmethylamino)methyl]cyclohexane-1-carboxylic acid
CID 79532069
N-(thiophen-2-ylmethyl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 79072850
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-4-yl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 170905957
2,2-dimethyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 21304833
3-methyl-N-(thiophen-2-ylmethyl)but-2-en-1-amine
CID 54396811
N-(azetidin-3-ylmethyl)-2-thiophen-2-ylethanamine
CID 115207735
1-[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]-N-(thiophen-2-ylmethyl)methanamine
CID 52991221
4-(thiophen-2-ylmethylamino)cyclohexan-1-ol
CID 43178546
1-[(thiophen-2-ylmethylamino)methyl]cyclobutan-1-ol
CID 115621566

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-2-[(thiophen-2-ylmethylamino)methyl]pyrrolidine-3,4-diol?
The IUPAC name of (2R,3R,4S)-2-[(thiophen-2-ylmethylamino)methyl]pyrrolidine-3,4-diol (CID 10988011) is (2R,3R,4S)-2-[(thiophen-2-ylmethylamino)methyl]pyrrolidine-3,4-diol.
What is the SMILES notation for (2R,3R,4S)-2-[(thiophen-2-ylmethylamino)methyl]pyrrolidine-3,4-diol?
The canonical SMILES for (2R,3R,4S)-2-[(thiophen-2-ylmethylamino)methyl]pyrrolidine-3,4-diol is O[C@H]1[C@@H](O)CN[C@@H]1CNCc1cccs1.
What is the InChIKey of (2R,3R,4S)-2-[(thiophen-2-ylmethylamino)methyl]pyrrolidine-3,4-diol?
The InChIKey is OKMVGPCMRNTUSN-KXUCPTDWSA-N. The full InChI is InChI=1S/C10H16N2O2S/c13-9-6-12-8(10(9)14)5-11-4-7-2-1-3-15-7/h1-3,8-14H,4-6H2/t8-,9+,10-/m1/s1.
What are the key properties of (2R,3R,4S)-2-[(thiophen-2-ylmethylamino)methyl]pyrrolidine-3,4-diol?
(2R,3R,4S)-2-[(thiophen-2-ylmethylamino)methyl]pyrrolidine-3,4-diol has a molecular weight of 228.32 g/mol, XLogP of -0.47, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-2-[(thiophen-2-ylmethylamino)methyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 10988011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).