N-(2-thiomorpholin-4-ylethyl)thian-4-amine

C11H22N2S2 — CID 115623278

IUPACN-(2-thiomorpholin-4-ylethyl)thian-4-amine
SMILESC(CN1CCSCC1)NC1CCSCC1
InChIInChI=1S/C11H22N2S2/c1-7-14-8-2-11(1)12-3-4-13-5-9-15-10-6-13/h11-12H,1-10H2
InChIKeyZUKSKCRQBMKIOX-UHFFFAOYSA-N
MW246.44 g/mol
LogP1.52
Rot. Bonds4

About N-(2-thiomorpholin-4-ylethyl)thian-4-amine

N-(2-thiomorpholin-4-ylethyl)thian-4-amine (PubChem CID 115623278) has the molecular formula C11H22N2S2 and a molecular weight of 246.44 g/mol. Its IUPAC name is N-(2-thiomorpholin-4-ylethyl)thian-4-amine.

Molecular Properties

Compound NameN-(2-thiomorpholin-4-ylethyl)thian-4-amine
PubChem CID115623278
Molecular FormulaC11H22N2S2
Molecular Weight246.44 g/mol
Exact Mass246.12
IUPAC NameN-(2-thiomorpholin-4-ylethyl)thian-4-amine
SMILESC(CN1CCSCC1)NC1CCSCC1
InChIInChI=1S/C11H22N2S2/c1-7-14-8-2-11(1)12-3-4-13-5-9-15-10-6-13/h11-12H,1-10H2
InChIKeyZUKSKCRQBMKIOX-UHFFFAOYSA-N
XLogP1.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.44
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-thiomorpholin-4-ylethyl)cyclopentanamine
CID 60849284
N-[2-(azepan-1-yl)ethyl]thian-4-amine
CID 60751888
N-(2-thiomorpholin-4-ylethyl)cyclohexanamine
CID 62573834
4-methoxy-N-(2-thiomorpholin-4-ylethyl)cyclohexan-1-amine
CID 104530558
4-methyl-N-(2-thiomorpholin-4-ylethyl)cycloheptan-1-amine
CID 114173727
N-(2-pyrrolidin-1-ylethyl)thiolan-3-amine
CID 43181582
N-(2-thiomorpholin-4-ylethyl)oxolan-3-amine
CID 115689210
(3S)-N-(2-piperidin-1-ylethyl)thiolan-3-amine
CID 758325
3,4-dimethyl-N-(2-thiomorpholin-4-ylethyl)cyclohexan-1-amine
CID 104854192
1,1-dioxo-N-(2-thiomorpholin-4-ylethyl)thiolan-3-amine
CID 62574345
1,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)piperidin-4-amine
CID 103783176
1-propan-2-yl-N-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-amine
CID 103748347

Frequently Asked Questions

What is the IUPAC name of N-(2-thiomorpholin-4-ylethyl)thian-4-amine?
The IUPAC name of N-(2-thiomorpholin-4-ylethyl)thian-4-amine (CID 115623278) is N-(2-thiomorpholin-4-ylethyl)thian-4-amine.
What is the SMILES notation for N-(2-thiomorpholin-4-ylethyl)thian-4-amine?
The canonical SMILES for N-(2-thiomorpholin-4-ylethyl)thian-4-amine is C(CN1CCSCC1)NC1CCSCC1.
What is the InChIKey of N-(2-thiomorpholin-4-ylethyl)thian-4-amine?
The InChIKey is ZUKSKCRQBMKIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S2/c1-7-14-8-2-11(1)12-3-4-13-5-9-15-10-6-13/h11-12H,1-10H2.
What are the key properties of N-(2-thiomorpholin-4-ylethyl)thian-4-amine?
N-(2-thiomorpholin-4-ylethyl)thian-4-amine has a molecular weight of 246.44 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiomorpholin-4-ylethyl)thian-4-amine is sourced from PubChem (CID 115623278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).