N'-(2,2-dimethylcyclopropyl)thiomorpholine-4-carboximidamide

C10H19N3S — CID 119120258

IUPACN'-(2,2-dimethylcyclopropyl)thiomorpholine-4-carboximidamide
SMILESCC1(C)CC1/N=C(\N)N1CCSCC1
InChIInChI=1S/C10H19N3S/c1-10(2)7-8(10)12-9(11)13-3-5-14-6-4-13/h8H,3-7H2,1-2H3,(H2,11,12)
InChIKeySSLQIHVCLHDNPO-UHFFFAOYSA-N
MW213.35 g/mol
LogP1.15
Rot. Bonds1

About N'-(2,2-dimethylcyclopropyl)thiomorpholine-4-carboximidamide

N'-(2,2-dimethylcyclopropyl)thiomorpholine-4-carboximidamide (PubChem CID 119120258) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is N'-(2,2-dimethylcyclopropyl)thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-(2,2-dimethylcyclopropyl)thiomorpholine-4-carboximidamide
PubChem CID119120258
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC NameN'-(2,2-dimethylcyclopropyl)thiomorpholine-4-carboximidamide
SMILESCC1(C)CC1/N=C(\N)N1CCSCC1
InChIInChI=1S/C10H19N3S/c1-10(2)7-8(10)12-9(11)13-3-5-14-6-4-13/h8H,3-7H2,1-2H3,(H2,11,12)
InChIKeySSLQIHVCLHDNPO-UHFFFAOYSA-N
XLogP1.15
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2,2-dimethylcyclopropyl)thiomorpholine-4-carboximidamide?
The IUPAC name of N'-(2,2-dimethylcyclopropyl)thiomorpholine-4-carboximidamide (CID 119120258) is N'-(2,2-dimethylcyclopropyl)thiomorpholine-4-carboximidamide.
What is the SMILES notation for N'-(2,2-dimethylcyclopropyl)thiomorpholine-4-carboximidamide?
The canonical SMILES for N'-(2,2-dimethylcyclopropyl)thiomorpholine-4-carboximidamide is CC1(C)CC1/N=C(\N)N1CCSCC1.
What is the InChIKey of N'-(2,2-dimethylcyclopropyl)thiomorpholine-4-carboximidamide?
The InChIKey is SSLQIHVCLHDNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-10(2)7-8(10)12-9(11)13-3-5-14-6-4-13/h8H,3-7H2,1-2H3,(H2,11,12).
What are the key properties of N'-(2,2-dimethylcyclopropyl)thiomorpholine-4-carboximidamide?
N'-(2,2-dimethylcyclopropyl)thiomorpholine-4-carboximidamide has a molecular weight of 213.35 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-dimethylcyclopropyl)thiomorpholine-4-carboximidamide is sourced from PubChem (CID 119120258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).