(3R,4R)-4-(thian-2-ylmethylamino)pyrrolidin-3-ol

C10H20N2OS — CID 130891380

IUPAC(3R,4R)-4-(thian-2-ylmethylamino)pyrrolidin-3-ol
SMILESO[C@@H]1CNC[C@H]1NCC1CCCCS1
InChIInChI=1S/C10H20N2OS/c13-10-7-11-6-9(10)12-5-8-3-1-2-4-14-8/h8-13H,1-7H2/t8?,9-,10-/m1/s1
InChIKeyASAJSPKCPOYPBT-VXRWAFEHSA-N
MW216.35 g/mol
LogP0.19
Rot. Bonds3

About (3R,4R)-4-(thian-2-ylmethylamino)pyrrolidin-3-ol

(3R,4R)-4-(thian-2-ylmethylamino)pyrrolidin-3-ol (PubChem CID 130891380) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is (3R,4R)-4-(thian-2-ylmethylamino)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-(thian-2-ylmethylamino)pyrrolidin-3-ol
PubChem CID130891380
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name(3R,4R)-4-(thian-2-ylmethylamino)pyrrolidin-3-ol
SMILESO[C@@H]1CNC[C@H]1NCC1CCCCS1
InChIInChI=1S/C10H20N2OS/c13-10-7-11-6-9(10)12-5-8-3-1-2-4-14-8/h8-13H,1-7H2/t8?,9-,10-/m1/s1
InChIKeyASAJSPKCPOYPBT-VXRWAFEHSA-N
XLogP0.19
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1R,2R)-2-(thian-2-ylmethylamino)cyclopentan-1-ol
CID 102733755
1,1-dioxo-4-(thian-2-ylmethylamino)thiolan-3-ol
CID 80599907
2-methyl-N-(thian-2-ylmethyl)thiolan-3-amine
CID 102672978
1-(azetidin-3-ylmethyl)-3-(thian-2-ylmethyl)urea
CID 117235091
N-(thian-2-ylmethyl)cyclobutanamine
CID 80599941
2-(thian-2-ylmethylamino)cycloheptane-1-carbonitrile
CID 80600092
N-(thian-2-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 80596482
N-methyl-1-(thian-2-yl)methanamine
CID 80593784
2-oxo-2-(thian-2-ylmethylamino)acetic acid
CID 80613174
(2R,5S)-5-(thian-2-ylmethylcarbamoyl)oxolane-2-carboxylic acid
CID 102945469
2-(thian-2-ylmethylamino)ethanol
CID 80601199
3-oxo-3-(thian-2-ylmethylamino)propanoic acid
CID 80612290

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(thian-2-ylmethylamino)pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-4-(thian-2-ylmethylamino)pyrrolidin-3-ol (CID 130891380) is (3R,4R)-4-(thian-2-ylmethylamino)pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-4-(thian-2-ylmethylamino)pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-4-(thian-2-ylmethylamino)pyrrolidin-3-ol is O[C@@H]1CNC[C@H]1NCC1CCCCS1.
What is the InChIKey of (3R,4R)-4-(thian-2-ylmethylamino)pyrrolidin-3-ol?
The InChIKey is ASAJSPKCPOYPBT-VXRWAFEHSA-N. The full InChI is InChI=1S/C10H20N2OS/c13-10-7-11-6-9(10)12-5-8-3-1-2-4-14-8/h8-13H,1-7H2/t8?,9-,10-/m1/s1.
What are the key properties of (3R,4R)-4-(thian-2-ylmethylamino)pyrrolidin-3-ol?
(3R,4R)-4-(thian-2-ylmethylamino)pyrrolidin-3-ol has a molecular weight of 216.35 g/mol, XLogP of 0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(thian-2-ylmethylamino)pyrrolidin-3-ol is sourced from PubChem (CID 130891380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).