2-methyl-3-(2-propan-2-ylsulfonylethylsulfonyl)propan-1-amine

C9H21NO4S2 — CID 106735833

IUPAC2-methyl-3-(2-propan-2-ylsulfonylethylsulfonyl)propan-1-amine
SMILESCC(CN)CS(=O)(=O)CCS(=O)(=O)C(C)C
InChIInChI=1S/C9H21NO4S2/c1-8(2)16(13,14)5-4-15(11,12)7-9(3)6-10/h8-9H,4-7,10H2,1-3H3
InChIKeyZTODJWWEFSREQV-UHFFFAOYSA-N
MW271.40 g/mol
LogP-0.18
Rot. Bonds7

About 2-methyl-3-(2-propan-2-ylsulfonylethylsulfonyl)propan-1-amine

2-methyl-3-(2-propan-2-ylsulfonylethylsulfonyl)propan-1-amine (PubChem CID 106735833) has the molecular formula C9H21NO4S2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-methyl-3-(2-propan-2-ylsulfonylethylsulfonyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(2-propan-2-ylsulfonylethylsulfonyl)propan-1-amine
PubChem CID106735833
Molecular FormulaC9H21NO4S2
Molecular Weight271.40 g/mol
Exact Mass271.09
IUPAC Name2-methyl-3-(2-propan-2-ylsulfonylethylsulfonyl)propan-1-amine
SMILESCC(CN)CS(=O)(=O)CCS(=O)(=O)C(C)C
InChIInChI=1S/C9H21NO4S2/c1-8(2)16(13,14)5-4-15(11,12)7-9(3)6-10/h8-9H,4-7,10H2,1-3H3
InChIKeyZTODJWWEFSREQV-UHFFFAOYSA-N
XLogP-0.18
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-propan-2-ylsulfonylethylsulfonyl)propan-1-amine?
The IUPAC name of 2-methyl-3-(2-propan-2-ylsulfonylethylsulfonyl)propan-1-amine (CID 106735833) is 2-methyl-3-(2-propan-2-ylsulfonylethylsulfonyl)propan-1-amine.
What is the SMILES notation for 2-methyl-3-(2-propan-2-ylsulfonylethylsulfonyl)propan-1-amine?
The canonical SMILES for 2-methyl-3-(2-propan-2-ylsulfonylethylsulfonyl)propan-1-amine is CC(CN)CS(=O)(=O)CCS(=O)(=O)C(C)C.
What is the InChIKey of 2-methyl-3-(2-propan-2-ylsulfonylethylsulfonyl)propan-1-amine?
The InChIKey is ZTODJWWEFSREQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO4S2/c1-8(2)16(13,14)5-4-15(11,12)7-9(3)6-10/h8-9H,4-7,10H2,1-3H3.
What are the key properties of 2-methyl-3-(2-propan-2-ylsulfonylethylsulfonyl)propan-1-amine?
2-methyl-3-(2-propan-2-ylsulfonylethylsulfonyl)propan-1-amine has a molecular weight of 271.40 g/mol, XLogP of -0.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-propan-2-ylsulfonylethylsulfonyl)propan-1-amine is sourced from PubChem (CID 106735833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).