4-methylsulfonyl-1-(oxolan-3-yl)-N-propylbutan-2-amine

C12H25NO3S — CID 114982647

IUPAC4-methylsulfonyl-1-(oxolan-3-yl)-N-propylbutan-2-amine
SMILESCCCNC(CCS(C)(=O)=O)CC1CCOC1
InChIInChI=1S/C12H25NO3S/c1-3-6-13-12(5-8-17(2,14)15)9-11-4-7-16-10-11/h11-13H,3-10H2,1-2H3
InChIKeyDRMWJVNNNFKOQN-UHFFFAOYSA-N
MW263.40 g/mol
LogP1.22
Rot. Bonds8

About 4-methylsulfonyl-1-(oxolan-3-yl)-N-propylbutan-2-amine

4-methylsulfonyl-1-(oxolan-3-yl)-N-propylbutan-2-amine (PubChem CID 114982647) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is 4-methylsulfonyl-1-(oxolan-3-yl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name4-methylsulfonyl-1-(oxolan-3-yl)-N-propylbutan-2-amine
PubChem CID114982647
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC Name4-methylsulfonyl-1-(oxolan-3-yl)-N-propylbutan-2-amine
SMILESCCCNC(CCS(C)(=O)=O)CC1CCOC1
InChIInChI=1S/C12H25NO3S/c1-3-6-13-12(5-8-17(2,14)15)9-11-4-7-16-10-11/h11-13H,3-10H2,1-2H3
InChIKeyDRMWJVNNNFKOQN-UHFFFAOYSA-N
XLogP1.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-methylsulfonyl-1-(oxolan-3-yl)butan-2-amine
CID 114982644
6-methyl-1-(oxolan-3-yl)-N-propylheptan-2-amine
CID 113362206
1-methylsulfonyl-3-(oxan-4-yl)-N-propylpropan-2-amine
CID 55093714
6,6,6-trifluoro-1-(oxolan-3-yl)-N-propylhexan-2-amine
CID 103987551
1-(1,3-dioxolan-2-yl)-5-methylsulfonyl-N-propylpentan-2-amine
CID 103546496
5-methylsulfonyl-N-propyl-1-(thian-4-yl)pentan-2-amine
CID 105112949
3-methyl-1-(oxolan-3-yl)-N-propylpentan-2-amine
CID 103987457
1-ethoxy-5-methylsulfonyl-N-propylpentan-3-amine
CID 114984093
5,5,5-trifluoro-1-(oxan-4-yl)-N-propylpentan-2-amine
CID 79965180
N-ethyl-1-(oxolan-3-yl)dodecan-2-amine
CID 103987333
N-ethyl-1-(oxolan-3-yl)decan-2-amine
CID 103987183
N-[1-(3-methylsulfonylcyclohexyl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 103987433

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-1-(oxolan-3-yl)-N-propylbutan-2-amine?
The IUPAC name of 4-methylsulfonyl-1-(oxolan-3-yl)-N-propylbutan-2-amine (CID 114982647) is 4-methylsulfonyl-1-(oxolan-3-yl)-N-propylbutan-2-amine.
What is the SMILES notation for 4-methylsulfonyl-1-(oxolan-3-yl)-N-propylbutan-2-amine?
The canonical SMILES for 4-methylsulfonyl-1-(oxolan-3-yl)-N-propylbutan-2-amine is CCCNC(CCS(C)(=O)=O)CC1CCOC1.
What is the InChIKey of 4-methylsulfonyl-1-(oxolan-3-yl)-N-propylbutan-2-amine?
The InChIKey is DRMWJVNNNFKOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-3-6-13-12(5-8-17(2,14)15)9-11-4-7-16-10-11/h11-13H,3-10H2,1-2H3.
What are the key properties of 4-methylsulfonyl-1-(oxolan-3-yl)-N-propylbutan-2-amine?
4-methylsulfonyl-1-(oxolan-3-yl)-N-propylbutan-2-amine has a molecular weight of 263.40 g/mol, XLogP of 1.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-1-(oxolan-3-yl)-N-propylbutan-2-amine is sourced from PubChem (CID 114982647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).