2-(1-methylpyrazol-4-yl)sulfanylcycloheptan-1-amine

C11H19N3S — CID 64627958

IUPAC2-(1-methylpyrazol-4-yl)sulfanylcycloheptan-1-amine
SMILESCn1cc(SC2CCCCCC2N)cn1
InChIInChI=1S/C11H19N3S/c1-14-8-9(7-13-14)15-11-6-4-2-3-5-10(11)12/h7-8,10-11H,2-6,12H2,1H3
InChIKeyNDZNASYFNQHHBG-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.17
Rot. Bonds2

About 2-(1-methylpyrazol-4-yl)sulfanylcycloheptan-1-amine

2-(1-methylpyrazol-4-yl)sulfanylcycloheptan-1-amine (PubChem CID 64627958) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)sulfanylcycloheptan-1-amine.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)sulfanylcycloheptan-1-amine
PubChem CID64627958
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name2-(1-methylpyrazol-4-yl)sulfanylcycloheptan-1-amine
SMILESCn1cc(SC2CCCCCC2N)cn1
InChIInChI=1S/C11H19N3S/c1-14-8-9(7-13-14)15-11-6-4-2-3-5-10(11)12/h7-8,10-11H,2-6,12H2,1H3
InChIKeyNDZNASYFNQHHBG-UHFFFAOYSA-N
XLogP2.17
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylpyrazol-4-yl)sulfanylcyclopentan-1-amine
CID 64627959
6-(1-methylpyrazol-4-yl)sulfanyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 64628164
2-(1-methylpyrazol-4-yl)sulfanyl-N-propylcyclopentan-1-amine
CID 64626801
2-(1-methyltetrazol-5-yl)sulfanylcyclohexan-1-amine
CID 64621182
4-(2-aminocyclohexyl)sulfanylaniline
CID 106440974
2-(1-methylpyrazol-4-yl)sulfanylcyclopentan-1-one
CID 61385197
S-(1-methylpyrazol-4-yl)thiohydroxylamine
CID 134606246
N-methyl-3-(1-methylpyrazol-4-yl)sulfanyloxan-4-amine
CID 64628166
2-(4-bromophenyl)sulfanylcyclohexan-1-amine
CID 64615583
2-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 62127990
1-amino-3-(1-methylpyrazol-4-yl)sulfanylcyclohexane-1-carboxamide
CID 79634834
1-cyclopentyl-2-(1-methylpyrazol-4-yl)sulfanylethanamine
CID 104755777

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)sulfanylcycloheptan-1-amine?
The IUPAC name of 2-(1-methylpyrazol-4-yl)sulfanylcycloheptan-1-amine (CID 64627958) is 2-(1-methylpyrazol-4-yl)sulfanylcycloheptan-1-amine.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)sulfanylcycloheptan-1-amine?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)sulfanylcycloheptan-1-amine is Cn1cc(SC2CCCCCC2N)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)sulfanylcycloheptan-1-amine?
The InChIKey is NDZNASYFNQHHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-14-8-9(7-13-14)15-11-6-4-2-3-5-10(11)12/h7-8,10-11H,2-6,12H2,1H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)sulfanylcycloheptan-1-amine?
2-(1-methylpyrazol-4-yl)sulfanylcycloheptan-1-amine has a molecular weight of 225.36 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)sulfanylcycloheptan-1-amine is sourced from PubChem (CID 64627958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).