1-cyclopropyl-1-methoxy-4-methylsulfonyl-N-propylbutan-2-amine

C12H25NO3S — CID 116722742

IUPAC1-cyclopropyl-1-methoxy-4-methylsulfonyl-N-propylbutan-2-amine
SMILESCCCNC(CCS(C)(=O)=O)C(OC)C1CC1
InChIInChI=1S/C12H25NO3S/c1-4-8-13-11(7-9-17(3,14)15)12(16-2)10-5-6-10/h10-13H,4-9H2,1-3H3
InChIKeyBEEXQNITAUMHLG-UHFFFAOYSA-N
MW263.40 g/mol
LogP1.21
Rot. Bonds9

About 1-cyclopropyl-1-methoxy-4-methylsulfonyl-N-propylbutan-2-amine

1-cyclopropyl-1-methoxy-4-methylsulfonyl-N-propylbutan-2-amine (PubChem CID 116722742) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is 1-cyclopropyl-1-methoxy-4-methylsulfonyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-1-methoxy-4-methylsulfonyl-N-propylbutan-2-amine
PubChem CID116722742
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC Name1-cyclopropyl-1-methoxy-4-methylsulfonyl-N-propylbutan-2-amine
SMILESCCCNC(CCS(C)(=O)=O)C(OC)C1CC1
InChIInChI=1S/C12H25NO3S/c1-4-8-13-11(7-9-17(3,14)15)12(16-2)10-5-6-10/h10-13H,4-9H2,1-3H3
InChIKeyBEEXQNITAUMHLG-UHFFFAOYSA-N
XLogP1.21
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-1-methoxy-5-methylsulfonyl-N-propylpentan-2-amine
CID 116771861
1-cyclopropyl-1-methoxy-N-propylhex-5-yn-2-amine
CID 116722820
1-cyclopropyl-1-methoxy-N-propyl-4-thiophen-2-ylbutan-2-amine
CID 116722695
1-cyclohexyl-1-methoxy-6-methyl-N-propylheptan-2-amine
CID 116771907
1-cyclopropyl-1-methoxy-4-methylidene-N-propylhexan-2-amine
CID 116722865
1-cyclohexyl-1-methoxy-N-propylhept-5-yn-2-amine
CID 116771813
1-(3-methylcyclopentyl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 65415614
1-cyclohexyl-1-methoxy-4-methyl-N-propylheptan-2-amine
CID 116771857
5-methoxy-6-methyl-1-methylsulfonyl-N-propylheptan-4-amine
CID 116720556
1-cyclopropyl-3-(3,5-difluorophenyl)-1-methoxy-N-propylpropan-2-amine
CID 105407026
N-(2-cyclohexyl-1-cyclopropyl-2-methoxyethyl)propan-1-amine
CID 116771906
4-cyclopropyl-N-methyl-1-methylsulfonylpentan-3-amine
CID 115848542

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-methoxy-4-methylsulfonyl-N-propylbutan-2-amine?
The IUPAC name of 1-cyclopropyl-1-methoxy-4-methylsulfonyl-N-propylbutan-2-amine (CID 116722742) is 1-cyclopropyl-1-methoxy-4-methylsulfonyl-N-propylbutan-2-amine.
What is the SMILES notation for 1-cyclopropyl-1-methoxy-4-methylsulfonyl-N-propylbutan-2-amine?
The canonical SMILES for 1-cyclopropyl-1-methoxy-4-methylsulfonyl-N-propylbutan-2-amine is CCCNC(CCS(C)(=O)=O)C(OC)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-methoxy-4-methylsulfonyl-N-propylbutan-2-amine?
The InChIKey is BEEXQNITAUMHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-4-8-13-11(7-9-17(3,14)15)12(16-2)10-5-6-10/h10-13H,4-9H2,1-3H3.
What are the key properties of 1-cyclopropyl-1-methoxy-4-methylsulfonyl-N-propylbutan-2-amine?
1-cyclopropyl-1-methoxy-4-methylsulfonyl-N-propylbutan-2-amine has a molecular weight of 263.40 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 1-cyclopropyl-1-methoxy-4-methylsulfonyl-N-propylbutan-2-amine is sourced from PubChem (CID 116722742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).