3-(3-methoxypropylsulfonyl)-N-propylbutan-2-amine

C11H25NO3S — CID 64674074

IUPAC3-(3-methoxypropylsulfonyl)-N-propylbutan-2-amine
SMILESCCCNC(C)C(C)S(=O)(=O)CCCOC
InChIInChI=1S/C11H25NO3S/c1-5-7-12-10(2)11(3)16(13,14)9-6-8-15-4/h10-12H,5-9H2,1-4H3
InChIKeyVXWLCOSTBTXSEP-UHFFFAOYSA-N
MW251.39 g/mol
LogP1.21
Rot. Bonds9

About 3-(3-methoxypropylsulfonyl)-N-propylbutan-2-amine

3-(3-methoxypropylsulfonyl)-N-propylbutan-2-amine (PubChem CID 64674074) has the molecular formula C11H25NO3S and a molecular weight of 251.39 g/mol. Its IUPAC name is 3-(3-methoxypropylsulfonyl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name3-(3-methoxypropylsulfonyl)-N-propylbutan-2-amine
PubChem CID64674074
Molecular FormulaC11H25NO3S
Molecular Weight251.39 g/mol
Exact Mass251.16
IUPAC Name3-(3-methoxypropylsulfonyl)-N-propylbutan-2-amine
SMILESCCCNC(C)C(C)S(=O)(=O)CCCOC
InChIInChI=1S/C11H25NO3S/c1-5-7-12-10(2)11(3)16(13,14)9-6-8-15-4/h10-12H,5-9H2,1-4H3
InChIKeyVXWLCOSTBTXSEP-UHFFFAOYSA-N
XLogP1.21
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyethylsulfonyl)-N-propylbutan-2-amine
CID 64646533
2-(2-methoxyethylsulfonyl)-N-propylpentan-3-amine
CID 64647490
methyl 2-[3-(propylamino)butan-2-ylsulfonyl]acetate
CID 64675960
1-methoxy-5-propan-2-ylsulfonyl-N-propylpentan-2-amine
CID 106727271
3-(2-methoxyethylsulfonyl)-N-methylbutan-2-amine
CID 64646902
6-methoxy-1-methylsulfonyl-N-propylhexan-3-amine
CID 65092471
1-methoxy-3-(2-methoxyethylsulfonyl)-N-propylpropan-2-amine
CID 107508592
N-(3-methoxypropyl)-3-methylpentan-2-amine
CID 43205167
3-N-(2-methoxyethyl)-3-N-propan-2-yl-2-N-propylbutane-2,3-diamine
CID 82949086
4-(3-methoxypropylsulfonyl)-N-methylpentan-2-amine
CID 64704596
N-(3-methoxypropyl)-3-methylbutan-2-amine
CID 43205074
3-ethyl-N-(3-methoxypropyl)pentan-2-amine
CID 63838999

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropylsulfonyl)-N-propylbutan-2-amine?
The IUPAC name of 3-(3-methoxypropylsulfonyl)-N-propylbutan-2-amine (CID 64674074) is 3-(3-methoxypropylsulfonyl)-N-propylbutan-2-amine.
What is the SMILES notation for 3-(3-methoxypropylsulfonyl)-N-propylbutan-2-amine?
The canonical SMILES for 3-(3-methoxypropylsulfonyl)-N-propylbutan-2-amine is CCCNC(C)C(C)S(=O)(=O)CCCOC.
What is the InChIKey of 3-(3-methoxypropylsulfonyl)-N-propylbutan-2-amine?
The InChIKey is VXWLCOSTBTXSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3S/c1-5-7-12-10(2)11(3)16(13,14)9-6-8-15-4/h10-12H,5-9H2,1-4H3.
What are the key properties of 3-(3-methoxypropylsulfonyl)-N-propylbutan-2-amine?
3-(3-methoxypropylsulfonyl)-N-propylbutan-2-amine has a molecular weight of 251.39 g/mol, XLogP of 1.21, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropylsulfonyl)-N-propylbutan-2-amine is sourced from PubChem (CID 64674074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).