N-(1-methoxypropan-2-yl)-1,1-dioxothian-4-amine

C9H19NO3S — CID 43511456

IUPACN-(1-methoxypropan-2-yl)-1,1-dioxothian-4-amine
SMILESCOCC(C)NC1CCS(=O)(=O)CC1
InChIInChI=1S/C9H19NO3S/c1-8(7-13-2)10-9-3-5-14(11,12)6-4-9/h8-10H,3-7H2,1-2H3
InChIKeyYISJJAZQQMGELS-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.19
Rot. Bonds4

About N-(1-methoxypropan-2-yl)-1,1-dioxothian-4-amine

N-(1-methoxypropan-2-yl)-1,1-dioxothian-4-amine (PubChem CID 43511456) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-1,1-dioxothian-4-amine.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-1,1-dioxothian-4-amine
PubChem CID43511456
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC NameN-(1-methoxypropan-2-yl)-1,1-dioxothian-4-amine
SMILESCOCC(C)NC1CCS(=O)(=O)CC1
InChIInChI=1S/C9H19NO3S/c1-8(7-13-2)10-9-3-5-14(11,12)6-4-9/h8-10H,3-7H2,1-2H3
InChIKeyYISJJAZQQMGELS-UHFFFAOYSA-N
XLogP0.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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(3S)-3-(methanesulfonylmethyl)morpholine hydrochloride
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(3S)-3-(2-methanesulfonylethyl)morpholinehydrochloride
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(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-(3-morpholin-4-yl-propyl)-amine
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4-((2-Hydroxypropyl)amino)tetrahydro-2H-thiopyran 1,1-dioxide
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N-(2-methoxyethyl)thian-3-amine
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(3R)-3-[2-(4,4,5,5,5-pentafluoropentylsulfonyl)ethyl]morpholine
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3-[2-(4,4,5,5,5-Pentafluoropentylsulfonyl)ethyl]morpholine
CID 123707228
(1,1-Dioxo-tetrahydrothiophen-3-yl)-(2-methoxy-ethyl)-amine
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1,1-dioxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]thian-4-amine
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CID 63828893

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-1,1-dioxothian-4-amine?
The IUPAC name of N-(1-methoxypropan-2-yl)-1,1-dioxothian-4-amine (CID 43511456) is N-(1-methoxypropan-2-yl)-1,1-dioxothian-4-amine.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-1,1-dioxothian-4-amine?
The canonical SMILES for N-(1-methoxypropan-2-yl)-1,1-dioxothian-4-amine is COCC(C)NC1CCS(=O)(=O)CC1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-1,1-dioxothian-4-amine?
The InChIKey is YISJJAZQQMGELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-8(7-13-2)10-9-3-5-14(11,12)6-4-9/h8-10H,3-7H2,1-2H3.
What are the key properties of N-(1-methoxypropan-2-yl)-1,1-dioxothian-4-amine?
N-(1-methoxypropan-2-yl)-1,1-dioxothian-4-amine has a molecular weight of 221.32 g/mol, XLogP of 0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-1,1-dioxothian-4-amine is sourced from PubChem (CID 43511456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).