3-cyclopropyl-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)propan-1-amine

C13H19NS2 — CID 104994984

IUPAC3-cyclopropyl-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)propan-1-amine
SMILESNC(CCC1CC1)c1cc2c(s1)CCSC2
InChIInChI=1S/C13H19NS2/c14-11(4-3-9-1-2-9)13-7-10-8-15-6-5-12(10)16-13/h7,9,11H,1-6,8,14H2
InChIKeyJWUSGMSPENUTMG-UHFFFAOYSA-N
MW253.44 g/mol
LogP3.73
Rot. Bonds4

About 3-cyclopropyl-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)propan-1-amine

3-cyclopropyl-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)propan-1-amine (PubChem CID 104994984) has the molecular formula C13H19NS2 and a molecular weight of 253.44 g/mol. Its IUPAC name is 3-cyclopropyl-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)propan-1-amine
PubChem CID104994984
Molecular FormulaC13H19NS2
Molecular Weight253.44 g/mol
Exact Mass253.10
IUPAC Name3-cyclopropyl-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)propan-1-amine
SMILESNC(CCC1CC1)c1cc2c(s1)CCSC2
InChIInChI=1S/C13H19NS2/c14-11(4-3-9-1-2-9)13-7-10-8-15-6-5-12(10)16-13/h7,9,11H,1-6,8,14H2
InChIKeyJWUSGMSPENUTMG-UHFFFAOYSA-N
XLogP3.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.44
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)hex-5-yn-1-amine
CID 105033893
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-methylhexan-1-amine
CID 115845468
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-ethylpentan-1-amine
CID 105028207
[2-cyclopentyl-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethyl]hydrazine
CID 105298978
3-cyclopropyl-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)propan-1-one
CID 114978270
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-ethylcyclohexyl)methanol
CID 115807430
2-(3-chlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanamine
CID 81261999
(3,4-diethylphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine
CID 115481997
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine
CID 105019776
2-(5-bromo-3-pyridinyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanamine
CID 105036782
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4,4-dimethylpentan-1-ol
CID 115791416
2-(4-bromo-2-chlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanamine
CID 105037851

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)propan-1-amine?
The IUPAC name of 3-cyclopropyl-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)propan-1-amine (CID 104994984) is 3-cyclopropyl-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)propan-1-amine.
What is the SMILES notation for 3-cyclopropyl-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)propan-1-amine?
The canonical SMILES for 3-cyclopropyl-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)propan-1-amine is NC(CCC1CC1)c1cc2c(s1)CCSC2.
What is the InChIKey of 3-cyclopropyl-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)propan-1-amine?
The InChIKey is JWUSGMSPENUTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS2/c14-11(4-3-9-1-2-9)13-7-10-8-15-6-5-12(10)16-13/h7,9,11H,1-6,8,14H2.
What are the key properties of 3-cyclopropyl-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)propan-1-amine?
3-cyclopropyl-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)propan-1-amine has a molecular weight of 253.44 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)propan-1-amine is sourced from PubChem (CID 104994984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).