N-[[3-(2-tert-butylsulfonylethyl)oxolan-3-yl]methyl]propan-2-amine

C14H29NO3S — CID 106729994

IUPACN-[[3-(2-tert-butylsulfonylethyl)oxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(CCS(=O)(=O)C(C)(C)C)CCOC1
InChIInChI=1S/C14H29NO3S/c1-12(2)15-10-14(6-8-18-11-14)7-9-19(16,17)13(3,4)5/h12,15H,6-11H2,1-5H3
InChIKeyHDODQTWRMKNUQR-UHFFFAOYSA-N
MW291.46 g/mol
LogP1.99
Rot. Bonds6

About N-[[3-(2-tert-butylsulfonylethyl)oxolan-3-yl]methyl]propan-2-amine

N-[[3-(2-tert-butylsulfonylethyl)oxolan-3-yl]methyl]propan-2-amine (PubChem CID 106729994) has the molecular formula C14H29NO3S and a molecular weight of 291.46 g/mol. Its IUPAC name is N-[[3-(2-tert-butylsulfonylethyl)oxolan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(2-tert-butylsulfonylethyl)oxolan-3-yl]methyl]propan-2-amine
PubChem CID106729994
Molecular FormulaC14H29NO3S
Molecular Weight291.46 g/mol
Exact Mass291.19
IUPAC NameN-[[3-(2-tert-butylsulfonylethyl)oxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(CCS(=O)(=O)C(C)(C)C)CCOC1
InChIInChI=1S/C14H29NO3S/c1-12(2)15-10-14(6-8-18-11-14)7-9-19(16,17)13(3,4)5/h12,15H,6-11H2,1-5H3
InChIKeyHDODQTWRMKNUQR-UHFFFAOYSA-N
XLogP1.99
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-N-[(4-methylsulfonyloxan-4-yl)methyl]butan-1-amine
CID 86804354
N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]propan-2-amine
CID 122693623
1,1-dioxo-N-(oxolan-3-ylmethyl)thiolan-3-amine
CID 43191002
1,1-dioxo-N-(oxolan-3-ylmethyl)thian-4-amine
CID 43615101
N-(3-methyl-1,1-dioxothiolan-3-yl)oxan-4-amine
CID 43679724
N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 55066286
N-methyl-1-[3-[2-(3-methylbutoxy)ethyl]-1,1-dioxothiolan-3-yl]methanamine
CID 55106544
N-[[3-(2-butoxyethyl)-1,1-dioxothiolan-3-yl]methyl]ethanamine
CID 55106737
N-[[1,1-dioxo-3-(2-propan-2-yloxyethyl)thiolan-3-yl]methyl]propan-1-amine
CID 55106834
N-[[1,1-dioxo-3-(2-propan-2-yloxyethyl)thiolan-3-yl]methyl]propan-2-amine
CID 55106885
N-[[3-(2-butoxyethyl)-1,1-dioxothiolan-3-yl]methyl]cyclopropanamine
CID 55106981
2-methoxy-N-[[3-(2-methoxyethyl)-1,1-dioxothiolan-3-yl]methyl]ethanamine
CID 55107173

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-tert-butylsulfonylethyl)oxolan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(2-tert-butylsulfonylethyl)oxolan-3-yl]methyl]propan-2-amine (CID 106729994) is N-[[3-(2-tert-butylsulfonylethyl)oxolan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(2-tert-butylsulfonylethyl)oxolan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(2-tert-butylsulfonylethyl)oxolan-3-yl]methyl]propan-2-amine is CC(C)NCC1(CCS(=O)(=O)C(C)(C)C)CCOC1.
What is the InChIKey of N-[[3-(2-tert-butylsulfonylethyl)oxolan-3-yl]methyl]propan-2-amine?
The InChIKey is HDODQTWRMKNUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3S/c1-12(2)15-10-14(6-8-18-11-14)7-9-19(16,17)13(3,4)5/h12,15H,6-11H2,1-5H3.
What are the key properties of N-[[3-(2-tert-butylsulfonylethyl)oxolan-3-yl]methyl]propan-2-amine?
N-[[3-(2-tert-butylsulfonylethyl)oxolan-3-yl]methyl]propan-2-amine has a molecular weight of 291.46 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-tert-butylsulfonylethyl)oxolan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 106729994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).