(7R)-4-methylidene-7-N-propyl-6,7,8,9-tetrahydro-5H-1,3-thiazonine-2,7-diamine

C11H21N3S — CID 145050238

IUPAC(7R)-4-methylidene-7-N-propyl-6,7,8,9-tetrahydro-5H-1,3-thiazonine-2,7-diamine
SMILESC=C1CC[C@@H](NCCC)CCS/C(N)=N\1
InChIInChI=1S/C11H21N3S/c1-3-7-13-10-5-4-9(2)14-11(12)15-8-6-10/h10,13H,2-8H2,1H3,(H2,12,14)/t10-/m1/s1
InChIKeyDLTBLSAXAFSEHR-SNVBAGLBSA-N
MW227.38 g/mol
LogP2.10
Rot. Bonds3

About (7R)-4-methylidene-7-N-propyl-6,7,8,9-tetrahydro-5H-1,3-thiazonine-2,7-diamine

(7R)-4-methylidene-7-N-propyl-6,7,8,9-tetrahydro-5H-1,3-thiazonine-2,7-diamine (PubChem CID 145050238) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is (7R)-4-methylidene-7-N-propyl-6,7,8,9-tetrahydro-5H-1,3-thiazonine-2,7-diamine.

Molecular Properties

Compound Name(7R)-4-methylidene-7-N-propyl-6,7,8,9-tetrahydro-5H-1,3-thiazonine-2,7-diamine
PubChem CID145050238
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name(7R)-4-methylidene-7-N-propyl-6,7,8,9-tetrahydro-5H-1,3-thiazonine-2,7-diamine
SMILESC=C1CC[C@@H](NCCC)CCS/C(N)=N\1
InChIInChI=1S/C11H21N3S/c1-3-7-13-10-5-4-9(2)14-11(12)15-8-6-10/h10,13H,2-8H2,1H3,(H2,12,14)/t10-/m1/s1
InChIKeyDLTBLSAXAFSEHR-SNVBAGLBSA-N
XLogP2.10
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (7R)-4-methylidene-7-N-propyl-6,7,8,9-tetrahydro-5H-1,3-thiazonine-2,7-diamine with MolForge

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Related Compounds

(1R)-1-N-propylcyclohex-3-ene-1,3-diamine
CID 141400748
6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;hydrochloride
CID 11615735
6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;hydroiodide
CID 131853542
(6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;dichloride;hydrate
CID 154730531
6-N-propyl-5,6,7,7a-tetrahydro-1,3-benzothiazole-2,6-diamine;dihydroiodide
CID 140503854
azane;N-propylcyclohexanamine
CID 19368218
N-propylcyclohexanamine;hydrochloride
CID 17370003
1-methyl-5-(propylamino)piperidin-2-one
CID 64655123
(1S)-4-tert-butyl-N-propylcyclohex-3-en-1-amine
CID 165018012
N-propyloxan-4-amine
CID 18348908
4-(propylamino)-2-sulfanylcyclohexan-1-one
CID 59779369
N-(2-propylsulfonylethyl)thian-4-amine
CID 106724514

Frequently Asked Questions

What is the IUPAC name of (7R)-4-methylidene-7-N-propyl-6,7,8,9-tetrahydro-5H-1,3-thiazonine-2,7-diamine?
The IUPAC name of (7R)-4-methylidene-7-N-propyl-6,7,8,9-tetrahydro-5H-1,3-thiazonine-2,7-diamine (CID 145050238) is (7R)-4-methylidene-7-N-propyl-6,7,8,9-tetrahydro-5H-1,3-thiazonine-2,7-diamine.
What is the SMILES notation for (7R)-4-methylidene-7-N-propyl-6,7,8,9-tetrahydro-5H-1,3-thiazonine-2,7-diamine?
The canonical SMILES for (7R)-4-methylidene-7-N-propyl-6,7,8,9-tetrahydro-5H-1,3-thiazonine-2,7-diamine is C=C1CC[C@@H](NCCC)CCS/C(N)=N\1.
What is the InChIKey of (7R)-4-methylidene-7-N-propyl-6,7,8,9-tetrahydro-5H-1,3-thiazonine-2,7-diamine?
The InChIKey is DLTBLSAXAFSEHR-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H21N3S/c1-3-7-13-10-5-4-9(2)14-11(12)15-8-6-10/h10,13H,2-8H2,1H3,(H2,12,14)/t10-/m1/s1.
What are the key properties of (7R)-4-methylidene-7-N-propyl-6,7,8,9-tetrahydro-5H-1,3-thiazonine-2,7-diamine?
(7R)-4-methylidene-7-N-propyl-6,7,8,9-tetrahydro-5H-1,3-thiazonine-2,7-diamine has a molecular weight of 227.38 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-4-methylidene-7-N-propyl-6,7,8,9-tetrahydro-5H-1,3-thiazonine-2,7-diamine is sourced from PubChem (CID 145050238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).