3-(4-methoxybutan-2-ylsulfonyl)-2-methylpropan-1-amine

C9H21NO3S — CID 116500598

IUPAC3-(4-methoxybutan-2-ylsulfonyl)-2-methylpropan-1-amine
SMILESCOCCC(C)S(=O)(=O)CC(C)CN
InChIInChI=1S/C9H21NO3S/c1-8(6-10)7-14(11,12)9(2)4-5-13-3/h8-9H,4-7,10H2,1-3H3
InChIKeyCESHVHCFCUQSIV-UHFFFAOYSA-N
MW223.34 g/mol
LogP0.42
Rot. Bonds7

About 3-(4-methoxybutan-2-ylsulfonyl)-2-methylpropan-1-amine

3-(4-methoxybutan-2-ylsulfonyl)-2-methylpropan-1-amine (PubChem CID 116500598) has the molecular formula C9H21NO3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 3-(4-methoxybutan-2-ylsulfonyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(4-methoxybutan-2-ylsulfonyl)-2-methylpropan-1-amine
PubChem CID116500598
Molecular FormulaC9H21NO3S
Molecular Weight223.34 g/mol
Exact Mass223.12
IUPAC Name3-(4-methoxybutan-2-ylsulfonyl)-2-methylpropan-1-amine
SMILESCOCCC(C)S(=O)(=O)CC(C)CN
InChIInChI=1S/C9H21NO3S/c1-8(6-10)7-14(11,12)9(2)4-5-13-3/h8-9H,4-7,10H2,1-3H3
InChIKeyCESHVHCFCUQSIV-UHFFFAOYSA-N
XLogP0.42
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(2-methoxyethoxy)propylsulfonyl]-2-methylpropan-1-amine
CID 103416130
3-ethylsulfonyl-2-methylpropan-1-amine
CID 64698202
6-methoxy-2-methylhexan-1-amine
CID 64666005
2-(3-amino-2-methylpropyl)sulfonylpropanamide
CID 81202082
N'-(2-methoxyethylsulfamoyl)-2-methylpentane-1,5-diamine
CID 106154148
N-(3-amino-2-methylpropyl)-2-methoxyethanesulfonamide
CID 62666694
5-methoxypentane-2-sulfonamide
CID 165447224
3-(2-ethylbutylsulfonyl)butan-1-amine
CID 82935836
2-methyl-3-(2-propan-2-ylsulfonylethylsulfonyl)propan-1-amine
CID 106735833
3-ethyl-5-methoxypentan-2-amine
CID 61000817
bis(4-methoxy-2-methylbutyl) butanedioate
CID 91701480
N',N'-bis(2-methoxyethyl)-2-methylpentane-1,5-diamine
CID 82683899

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxybutan-2-ylsulfonyl)-2-methylpropan-1-amine?
The IUPAC name of 3-(4-methoxybutan-2-ylsulfonyl)-2-methylpropan-1-amine (CID 116500598) is 3-(4-methoxybutan-2-ylsulfonyl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(4-methoxybutan-2-ylsulfonyl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(4-methoxybutan-2-ylsulfonyl)-2-methylpropan-1-amine is COCCC(C)S(=O)(=O)CC(C)CN.
What is the InChIKey of 3-(4-methoxybutan-2-ylsulfonyl)-2-methylpropan-1-amine?
The InChIKey is CESHVHCFCUQSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3S/c1-8(6-10)7-14(11,12)9(2)4-5-13-3/h8-9H,4-7,10H2,1-3H3.
What are the key properties of 3-(4-methoxybutan-2-ylsulfonyl)-2-methylpropan-1-amine?
3-(4-methoxybutan-2-ylsulfonyl)-2-methylpropan-1-amine has a molecular weight of 223.34 g/mol, XLogP of 0.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxybutan-2-ylsulfonyl)-2-methylpropan-1-amine is sourced from PubChem (CID 116500598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).