2-butylsulfonyl-N-(oxolan-2-ylmethyl)propan-1-amine

C12H25NO3S — CID 106512524

IUPAC2-butylsulfonyl-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESCCCCS(=O)(=O)C(C)CNCC1CCCO1
InChIInChI=1S/C12H25NO3S/c1-3-4-8-17(14,15)11(2)9-13-10-12-6-5-7-16-12/h11-13H,3-10H2,1-2H3
InChIKeyLXOHVWBHFYHLON-UHFFFAOYSA-N
MW263.40 g/mol
LogP1.36
Rot. Bonds8

About 2-butylsulfonyl-N-(oxolan-2-ylmethyl)propan-1-amine

2-butylsulfonyl-N-(oxolan-2-ylmethyl)propan-1-amine (PubChem CID 106512524) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is 2-butylsulfonyl-N-(oxolan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-butylsulfonyl-N-(oxolan-2-ylmethyl)propan-1-amine
PubChem CID106512524
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC Name2-butylsulfonyl-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESCCCCS(=O)(=O)C(C)CNCC1CCCO1
InChIInChI=1S/C12H25NO3S/c1-3-4-8-17(14,15)11(2)9-13-10-12-6-5-7-16-12/h11-13H,3-10H2,1-2H3
InChIKeyLXOHVWBHFYHLON-UHFFFAOYSA-N
XLogP1.36
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 ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-butan-2-ylsulfonyl-N-(oxolan-2-ylmethyl)ethanamine
CID 106512734
(2R)-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]pentan-1-amine
CID 28619216
2-(2-methylsulfonylethylsulfanyl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 63659784
N-butyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 54806845
N-methyl-N-(oxolan-2-ylmethyl)butane-1-sulfonamide
CID 110733190
2-N-ethyl-1-N,2-N-bis(oxolan-2-ylmethyl)propane-1,2-diamine
CID 62568854
3-[3-(oxolan-2-yl)propylsulfonyl]butanoic acid
CID 66113895
2-(oxolan-2-ylmethylsulfonyl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 106513593
N',N'-dibutyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 62575237
(2R)-N-[[(2S)-oxolan-2-yl]methyl]octan-2-amine
CID 28879278
2-N-(cyclopropylmethyl)-2-N-ethyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine
CID 63939905
N-(2-ethylsulfonylethyl)-1-(oxolan-2-yl)propan-2-amine
CID 115716501

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfonyl-N-(oxolan-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-butylsulfonyl-N-(oxolan-2-ylmethyl)propan-1-amine (CID 106512524) is 2-butylsulfonyl-N-(oxolan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-butylsulfonyl-N-(oxolan-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-butylsulfonyl-N-(oxolan-2-ylmethyl)propan-1-amine is CCCCS(=O)(=O)C(C)CNCC1CCCO1.
What is the InChIKey of 2-butylsulfonyl-N-(oxolan-2-ylmethyl)propan-1-amine?
The InChIKey is LXOHVWBHFYHLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-3-4-8-17(14,15)11(2)9-13-10-12-6-5-7-16-12/h11-13H,3-10H2,1-2H3.
What are the key properties of 2-butylsulfonyl-N-(oxolan-2-ylmethyl)propan-1-amine?
2-butylsulfonyl-N-(oxolan-2-ylmethyl)propan-1-amine has a molecular weight of 263.40 g/mol, XLogP of 1.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfonyl-N-(oxolan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 106512524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).