N,2-dimethyl-N-(propan-2-ylsulfonimidoyl)propan-1-amine

C8H20N2OS — CID 166035215

IUPACN,2-dimethyl-N-(propan-2-ylsulfonimidoyl)propan-1-amine
SMILES[H]N=[S@](=O)(C(C)C)N(C)CC(C)C
InChIInChI=1S/C8H20N2OS/c1-7(2)6-10(5)12(9,11)8(3)4/h7-9H,6H2,1-5H3/t12-/m1/s1
InChIKeyDZMYPWYCEPCOPO-GFCCVEGCSA-N
MW192.33 g/mol
LogP1.94
Rot. Bonds4

About N,2-dimethyl-N-(propan-2-ylsulfonimidoyl)propan-1-amine

N,2-dimethyl-N-(propan-2-ylsulfonimidoyl)propan-1-amine (PubChem CID 166035215) has the molecular formula C8H20N2OS and a molecular weight of 192.33 g/mol. Its IUPAC name is N,2-dimethyl-N-(propan-2-ylsulfonimidoyl)propan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-(propan-2-ylsulfonimidoyl)propan-1-amine
PubChem CID166035215
Molecular FormulaC8H20N2OS
Molecular Weight192.33 g/mol
Exact Mass192.13
IUPAC NameN,2-dimethyl-N-(propan-2-ylsulfonimidoyl)propan-1-amine
SMILES[H]N=[S@](=O)(C(C)C)N(C)CC(C)C
InChIInChI=1S/C8H20N2OS/c1-7(2)6-10(5)12(9,11)8(3)4/h7-9H,6H2,1-5H3/t12-/m1/s1
InChIKeyDZMYPWYCEPCOPO-GFCCVEGCSA-N
XLogP1.94
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.33
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(propan-2-ylsulfonimidoyl)propan-1-amine?
The IUPAC name of N,2-dimethyl-N-(propan-2-ylsulfonimidoyl)propan-1-amine (CID 166035215) is N,2-dimethyl-N-(propan-2-ylsulfonimidoyl)propan-1-amine.
What is the SMILES notation for N,2-dimethyl-N-(propan-2-ylsulfonimidoyl)propan-1-amine?
The canonical SMILES for N,2-dimethyl-N-(propan-2-ylsulfonimidoyl)propan-1-amine is [H]N=[S@](=O)(C(C)C)N(C)CC(C)C.
What is the InChIKey of N,2-dimethyl-N-(propan-2-ylsulfonimidoyl)propan-1-amine?
The InChIKey is DZMYPWYCEPCOPO-GFCCVEGCSA-N. The full InChI is InChI=1S/C8H20N2OS/c1-7(2)6-10(5)12(9,11)8(3)4/h7-9H,6H2,1-5H3/t12-/m1/s1.
What are the key properties of N,2-dimethyl-N-(propan-2-ylsulfonimidoyl)propan-1-amine?
N,2-dimethyl-N-(propan-2-ylsulfonimidoyl)propan-1-amine has a molecular weight of 192.33 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(propan-2-ylsulfonimidoyl)propan-1-amine is sourced from PubChem (CID 166035215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).