N-[(1,1-dioxothiolan-3-yl)methyl]propan-2-amine

C8H17NO2S — CID 61058506

IUPACN-[(1,1-dioxothiolan-3-yl)methyl]propan-2-amine
SMILESCC(C)NCC1CCS(=O)(=O)C1
InChIInChI=1S/C8H17NO2S/c1-7(2)9-5-8-3-4-12(10,11)6-8/h7-9H,3-6H2,1-2H3
InChIKeyYXBZLAJZWBVHBR-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.42
Rot. Bonds3

About N-[(1,1-dioxothiolan-3-yl)methyl]propan-2-amine

N-[(1,1-dioxothiolan-3-yl)methyl]propan-2-amine (PubChem CID 61058506) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-3-yl)methyl]propan-2-amine
PubChem CID61058506
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC NameN-[(1,1-dioxothiolan-3-yl)methyl]propan-2-amine
SMILESCC(C)NCC1CCS(=O)(=O)C1
InChIInChI=1S/C8H17NO2S/c1-7(2)9-5-8-3-4-12(10,11)6-8/h7-9H,3-6H2,1-2H3
InChIKeyYXBZLAJZWBVHBR-UHFFFAOYSA-N
XLogP0.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Ethylamino)tetrahydrothiophene 1,1-dioxide
CID 2772117
N-butyl-N-(1,1-dioxidotetrahydrothien-3-yl)amine hydrochloride
CID 12643601
3-(Butylamino)-1lambda6-thiolane-1,1-dione
CID 2831159
3-(Isobutylamino)tetrahydrothiophene 1,1-dioxide hydrochloride
CID 16187048
3-(2-Methylpropane-2-sulfonyl)pyrrolidine hydrochloride
CID 76145203
Tetrahydro-N-methylthiophen-3-amine 1,1-dioxide
CID 2736805
3-(Ethylamino)-1lambda6-thiolane-1,1-dione hydrochloride
CID 16248236
N-(1,1-dioxidotetrahydrothien-3-yl)-N-propylamine hydrochloride
CID 9551893
3-(Isobutylamino)tetrahydrothiophene 1,1-dioxide
CID 3113026
3-(Propylamino)-1lambda6-thiolane-1,1-dione
CID 3703923
3-[(Methylamino)methyl]-1lambda6-thiolane-1,1-dione
CID 53536960
3-[(Methylamino)methyl]-1lambda6-thiolane-1,1-dione hydrochloride
CID 53536959

Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]propan-2-amine?
The IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]propan-2-amine (CID 61058506) is N-[(1,1-dioxothiolan-3-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(1,1-dioxothiolan-3-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(1,1-dioxothiolan-3-yl)methyl]propan-2-amine is CC(C)NCC1CCS(=O)(=O)C1.
What is the InChIKey of N-[(1,1-dioxothiolan-3-yl)methyl]propan-2-amine?
The InChIKey is YXBZLAJZWBVHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-7(2)9-5-8-3-4-12(10,11)6-8/h7-9H,3-6H2,1-2H3.
What are the key properties of N-[(1,1-dioxothiolan-3-yl)methyl]propan-2-amine?
N-[(1,1-dioxothiolan-3-yl)methyl]propan-2-amine has a molecular weight of 191.30 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 61058506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).