(2R)-2-N-(thian-2-ylmethyl)propane-1,2-diamine

C9H20N2S — CID 104867949

IUPAC(2R)-2-N-(thian-2-ylmethyl)propane-1,2-diamine
SMILESC[C@H](CN)NCC1CCCCS1
InChIInChI=1S/C9H20N2S/c1-8(6-10)11-7-9-4-2-3-5-12-9/h8-9,11H,2-7,10H2,1H3/t8-,9?/m1/s1
InChIKeyADJFKABXZRMQFR-VEDVMXKPSA-N
MW188.34 g/mol
LogP1.21
Rot. Bonds4

About (2R)-2-N-(thian-2-ylmethyl)propane-1,2-diamine

(2R)-2-N-(thian-2-ylmethyl)propane-1,2-diamine (PubChem CID 104867949) has the molecular formula C9H20N2S and a molecular weight of 188.34 g/mol. Its IUPAC name is (2R)-2-N-(thian-2-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name(2R)-2-N-(thian-2-ylmethyl)propane-1,2-diamine
PubChem CID104867949
Molecular FormulaC9H20N2S
Molecular Weight188.34 g/mol
Exact Mass188.13
IUPAC Name(2R)-2-N-(thian-2-ylmethyl)propane-1,2-diamine
SMILESC[C@H](CN)NCC1CCCCS1
InChIInChI=1S/C9H20N2S/c1-8(6-10)11-7-9-4-2-3-5-12-9/h8-9,11H,2-7,10H2,1H3/t8-,9?/m1/s1
InChIKeyADJFKABXZRMQFR-VEDVMXKPSA-N
XLogP1.21
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-(thian-2-ylmethyl)propan-2-amine
CID 104537124
3-(thian-2-ylmethylamino)butan-2-ol
CID 80600593
1-cyclopentyl-N-(thiolan-2-ylmethyl)ethanamine
CID 80584262
methyl 2-methyl-3-(thian-2-ylmethylamino)butanoate
CID 80600200
2-methyl-N-(thian-2-ylmethyl)propan-1-amine
CID 80593621
N-methyl-1-(thian-2-yl)methanamine
CID 80593784
(2S)-2-N-(7-bicyclo[4.1.0]heptanylmethyl)propane-1,2-diamine
CID 104867892
1-(4-methoxyphenyl)-N-(thian-2-ylmethyl)propan-2-amine
CID 80595743
N-cyclopropyl-2-(thian-2-ylmethylamino)propanamide
CID 80599814
2-N-(thian-4-ylmethyl)propane-1,2-diamine
CID 103391033
ethyl 2-(thian-2-ylmethylamino)butanoate
CID 80601085
2-[1-(thian-2-ylmethylamino)ethyl]phenol
CID 80596152

Frequently Asked Questions

What is the IUPAC name of (2R)-2-N-(thian-2-ylmethyl)propane-1,2-diamine?
The IUPAC name of (2R)-2-N-(thian-2-ylmethyl)propane-1,2-diamine (CID 104867949) is (2R)-2-N-(thian-2-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for (2R)-2-N-(thian-2-ylmethyl)propane-1,2-diamine?
The canonical SMILES for (2R)-2-N-(thian-2-ylmethyl)propane-1,2-diamine is C[C@H](CN)NCC1CCCCS1.
What is the InChIKey of (2R)-2-N-(thian-2-ylmethyl)propane-1,2-diamine?
The InChIKey is ADJFKABXZRMQFR-VEDVMXKPSA-N. The full InChI is InChI=1S/C9H20N2S/c1-8(6-10)11-7-9-4-2-3-5-12-9/h8-9,11H,2-7,10H2,1H3/t8-,9?/m1/s1.
What are the key properties of (2R)-2-N-(thian-2-ylmethyl)propane-1,2-diamine?
(2R)-2-N-(thian-2-ylmethyl)propane-1,2-diamine has a molecular weight of 188.34 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-N-(thian-2-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 104867949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).