(1R)-1-(5,6-dimethyl-1,4-dithian-2-yl)propan-1-amine

C9H19NS2 — CID 103347015

IUPAC(1R)-1-(5,6-dimethyl-1,4-dithian-2-yl)propan-1-amine
SMILESCC[C@@H](N)C1CSC(C)C(C)S1
InChIInChI=1S/C9H19NS2/c1-4-8(10)9-5-11-6(2)7(3)12-9/h6-9H,4-5,10H2,1-3H3/t6?,7?,8-,9?/m1/s1
InChIKeyBAGHFJKUKZIHPI-DIVUHBNLSA-N
MW205.39 g/mol
LogP2.35
Rot. Bonds2

About (1R)-1-(5,6-dimethyl-1,4-dithian-2-yl)propan-1-amine

(1R)-1-(5,6-dimethyl-1,4-dithian-2-yl)propan-1-amine (PubChem CID 103347015) has the molecular formula C9H19NS2 and a molecular weight of 205.39 g/mol. Its IUPAC name is (1R)-1-(5,6-dimethyl-1,4-dithian-2-yl)propan-1-amine.

Molecular Properties

Compound Name(1R)-1-(5,6-dimethyl-1,4-dithian-2-yl)propan-1-amine
PubChem CID103347015
Molecular FormulaC9H19NS2
Molecular Weight205.39 g/mol
Exact Mass205.10
IUPAC Name(1R)-1-(5,6-dimethyl-1,4-dithian-2-yl)propan-1-amine
SMILESCC[C@@H](N)C1CSC(C)C(C)S1
InChIInChI=1S/C9H19NS2/c1-4-8(10)9-5-11-6(2)7(3)12-9/h6-9H,4-5,10H2,1-3H3/t6?,7?,8-,9?/m1/s1
InChIKeyBAGHFJKUKZIHPI-DIVUHBNLSA-N
XLogP2.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Tetrahydrothiopyran-4-ylamine
CID 418807
Thian-4-amine hydrochloride
CID 18331311
Thian-3-amine
CID 14024567
(3-Aminobutyl)-sulfide
CID 21122767
(2R)-1-butylsulfanylpropan-2-amine
CID 91506443
1-(5,6-Dimethyl-1,4-dithian-2-yl)-4,4,4-trifluorobutan-1-amine
CID 103345417
2-Methylthian-4-amine
CID 12282277
3-(2-Methyl-1,3-dithian-2-yl)propan-1-amine
CID 12794253
2-Methylthian-3-amine
CID 15084370
3-Propan-2-ylsulfanylbutan-2-amine
CID 21303159
N-propylthian-4-amine
CID 21709936
N-(propan-2-yl)thian-4-amine
CID 43394807

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5,6-dimethyl-1,4-dithian-2-yl)propan-1-amine?
The IUPAC name of (1R)-1-(5,6-dimethyl-1,4-dithian-2-yl)propan-1-amine (CID 103347015) is (1R)-1-(5,6-dimethyl-1,4-dithian-2-yl)propan-1-amine.
What is the SMILES notation for (1R)-1-(5,6-dimethyl-1,4-dithian-2-yl)propan-1-amine?
The canonical SMILES for (1R)-1-(5,6-dimethyl-1,4-dithian-2-yl)propan-1-amine is CC[C@@H](N)C1CSC(C)C(C)S1.
What is the InChIKey of (1R)-1-(5,6-dimethyl-1,4-dithian-2-yl)propan-1-amine?
The InChIKey is BAGHFJKUKZIHPI-DIVUHBNLSA-N. The full InChI is InChI=1S/C9H19NS2/c1-4-8(10)9-5-11-6(2)7(3)12-9/h6-9H,4-5,10H2,1-3H3/t6?,7?,8-,9?/m1/s1.
What are the key properties of (1R)-1-(5,6-dimethyl-1,4-dithian-2-yl)propan-1-amine?
(1R)-1-(5,6-dimethyl-1,4-dithian-2-yl)propan-1-amine has a molecular weight of 205.39 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5,6-dimethyl-1,4-dithian-2-yl)propan-1-amine is sourced from PubChem (CID 103347015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).